3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate
TL;DR: 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate (CAS 63649-50-3) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl acetate
Also Known As: 1-(2,2,4-Trimethyl-4-cyclohexenyl)ethyl acetate, alpha,4,6,6-Tetramethylcyclohex-3-ene-1-methyl acetate, 1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl acetate, 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate, 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, acetate
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 63649-50-3 |
|---|---|
| SMILES | CC1=CCC(C(C1)(C)C)C(C)OC(=O)C |
| InChIKey | MLQHMXIHRGYDJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate (CAS 63649-50-3), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl acetate.
Chemical Property Profile of 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate
Property Insights of 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate
The XLogP value of 3.1 indicates that 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-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-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-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-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate?
The CAS number of 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate is 63649-50-3.
What is the molecular formula of 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate?
The molecular formula of 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate is C13H22O2.
What is the molecular weight of 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate?
The molecular weight of 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate is 210.16 g/mol.
Where can I buy 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate?
You can request a quote for 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.