2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate
TL;DR: 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate (CAS 54345-58-3) 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.
(2,6,6-trimethylcyclohex-2-en-1-yl) acetate
Also Known As: 2,6,6-Trimethyl-2-cyclohexen-1-ol acetate, 2,6,6-Trimethyl-2-cyclohexen-1-yl acetate, 2,6,6-trimethylcyclohex-2-en-1-yl acetate, 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate, (2,6,6-trimethylcyclohex-2-en-1-yl) acetate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 54345-58-3 |
|---|---|
| SMILES | CC1=CCCC(C1OC(=O)C)(C)C |
| InChIKey | FGEGSSNSILCGDD-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate (CAS 54345-58-3), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: (2,6,6-trimethylcyclohex-2-en-1-yl) acetate.
Chemical Property Profile of 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate
Property Insights of 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, 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 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate?
The CAS number of 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate is 54345-58-3.
What is the molecular formula of 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate?
The molecular formula of 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate is C11H18O2.
What is the molecular weight of 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate?
The molecular weight of 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate is 182.13 g/mol.
Where can I buy 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate?
You can request a quote for 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-ol, 2,6,6-trimethyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.