elemol acetate
TL;DR: elemol acetate (CAS 60031-93-8) is a chemical compound with molecular formula C17H28O2 and molecular weight 264.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethenyl-2,2,4-trimethyl-3-prop-1-en-2-ylcyclohexyl)methyl acetate
Also Known As: elemol acetate, [4-ethenyl-2,2,4-trimethyl-3-(prop-1-en-2-yl)cyclohexyl]methyl acetate, Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, acetate, (1R,3S,4S)-, (4-ethenyl-2,2,4-trimethyl-3-prop-1-en-2-ylcyclohexyl)methyl acetate, Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, 1-acetate, (1R,3S,4S)-
| Molecular Formula | C17H28O2 |
|---|---|
| Molecular Weight | 264.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.20892 |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 60031-93-8 |
|---|---|
| SMILES | CC(=C)C1C(C(CCC1(C)C=C)COC(=O)C)(C)C |
| InChIKey | WVBWGEUOGUDKGD-UHFFFAOYSA-N |
Product Overview
elemol acetate (CAS 60031-93-8), with molecular formula C17H28O2 and molecular weight 264.21 g/mol. IUPAC: (4-ethenyl-2,2,4-trimethyl-3-prop-1-en-2-ylcyclohexyl)methyl acetate.
Chemical Property Profile of elemol acetate
Property Insights of elemol acetate
The XLogP value of 5.2 indicates that elemol 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, elemol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, elemol acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of elemol acetate?
The CAS number of elemol acetate is 60031-93-8.
What is the molecular formula of elemol acetate?
The molecular formula of elemol acetate is C17H28O2.
What is the molecular weight of elemol acetate?
The molecular weight of elemol acetate is 264.21 g/mol.
Where can I buy elemol acetate?
You can request a quote for elemol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for elemol acetate?
Yes, KEHONG BIO provides custom synthesis services for elemol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.