5-Cyclohexyl-5-methyl-3-hexyl acetate
TL;DR: 5-Cyclohexyl-5-methyl-3-hexyl acetate (CAS 97889-97-9) is a chemical compound with molecular formula C15H28O2 and molecular weight 240.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-cyclohexyl-5-methylhexan-3-yl) acetate
Also Known As: 5-Cyclohexyl-5-methyl-3-hexyl acetate, 5-cyclohexyl-5-methylhexan-3-yl acetate, (5-cyclohexyl-5-methylhexan-3-yl) acetate, alpha-Ethyl-gamma,gamma-dimethylcyclohexane-1-propanol acetate, 5-Cyclohexyl-5-methyl-3-hexyl acetate, , CID113424, 97889-97-9
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.20892 |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 97889-97-9 |
|---|---|
| SMILES | CCC(CC(C)(C)C1CCCCC1)OC(=O)C |
| InChIKey | JWMMZKLKENBFEY-UHFFFAOYSA-N |
Product Overview
5-Cyclohexyl-5-methyl-3-hexyl acetate (CAS 97889-97-9), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: (5-cyclohexyl-5-methylhexan-3-yl) acetate.
Chemical Property Profile of 5-Cyclohexyl-5-methyl-3-hexyl acetate
Property Insights of 5-Cyclohexyl-5-methyl-3-hexyl acetate
The XLogP value of 5.4 indicates that 5-Cyclohexyl-5-methyl-3-hexyl 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, 5-Cyclohexyl-5-methyl-3-hexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Cyclohexyl-5-methyl-3-hexyl 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 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The CAS number of 5-Cyclohexyl-5-methyl-3-hexyl acetate is 97889-97-9.
What is the molecular formula of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The molecular formula of 5-Cyclohexyl-5-methyl-3-hexyl acetate is C15H28O2.
What is the molecular weight of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The molecular weight of 5-Cyclohexyl-5-methyl-3-hexyl acetate is 240.21 g/mol.
Where can I buy 5-Cyclohexyl-5-methyl-3-hexyl acetate?
You can request a quote for 5-Cyclohexyl-5-methyl-3-hexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyclohexyl-5-methyl-3-hexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyclohexyl-5-methyl-3-hexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.