![Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate structure](/static/products/6899/68991-89-9.webp)
Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate
TL;DR: Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate (CAS 68991-89-9) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-4-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl) acetate
Also Known As: Acetoxy-1-methyl-4-isopropylbicyclo(2.2.2)oct-5-ene, 1-methyl-4-(propan-2-yl)bicyclo[2.2.2]oct-5-en-2-yl acetate, 1(Or4)-methyl-4(or1)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl acetate, 1-Methyl-4-(2-propanyl)bicyclo[2.2.2]oct-5-en-2-yl acetate, (1-methyl-4-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl) acetate
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 68991-89-9 |
|---|---|
| SMILES | CC(C)C12CCC(C=C1)(C(C2)OC(=O)C)C |
| InChIKey | HBPZRWRMJZYDMS-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate (CAS 68991-89-9), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: (1-methyl-4-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl) acetate.
Chemical Property Profile of Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate
Property Insights of Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate
The XLogP value of 3.8 indicates that Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate?
The CAS number of Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate is 68991-89-9.
What is the molecular formula of Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate?
The molecular formula of Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate is C14H22O2.
What is the molecular weight of Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate?
The molecular weight of Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate is 222.16 g/mol.
Where can I buy Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate?
You can request a quote for Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]oct-5-en-2-ol, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.