3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate
TL;DR: 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate (CAS 67634-26-8) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dimethylcyclohex-3-en-1-yl)methyl acetate
Also Known As: 2,4-Dimethylcyclohex-3-ene-1-methyl acetate, (2,4-dimethylcyclohex-3-en-1-yl)methyl acetate, 3-Cyclohexene-1-methanol, 2,4-dimethyl-, acetate, 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate, Acetic acid (2,4-dimethyl-3-cyclohexenyl)methyl ester
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 67634-26-8 |
|---|---|
| SMILES | CC1C=C(CCC1COC(=O)C)C |
| InChIKey | LICUDMOFXVHDPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate (CAS 67634-26-8), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: (2,4-dimethylcyclohex-3-en-1-yl)methyl acetate.
Chemical Property Profile of 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate
Property Insights of 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 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, 2,4-dimethyl-, 1-acetate?
The CAS number of 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate is 67634-26-8.
What is the molecular formula of 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate?
The molecular formula of 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate is C11H18O2.
What is the molecular weight of 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate?
The molecular weight of 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate is 182.13 g/mol.
Where can I buy 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate?
You can request a quote for 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 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, 2,4-dimethyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.