3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate
TL;DR: 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate (CAS 76649-19-9) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate
Also Known As: 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, 3-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate, 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2-acetate
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 76649-19-9 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=C(C)C(C)OC(=O)C |
| InChIKey | OAJKZBWQHVYGAI-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate (CAS 76649-19-9), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: [3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate.
Chemical Property Profile of 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate
Property Insights of 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate
The XLogP value of 4.2 indicates that 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl 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, 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl 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 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate?
The CAS number of 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate is 76649-19-9.
What is the molecular formula of 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate?
The molecular formula of 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate is C16H26O2.
What is the molecular weight of 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate?
The molecular weight of 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate is 250.19 g/mol.
Where can I buy 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate?
You can request a quote for 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.