1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate
TL;DR: 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate (CAS 86756-12-9) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl acetate
Also Known As: 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate, 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol acetate, 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-yl acetate, 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl acetate, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanol acetate
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 86756-12-9 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCC(C)OC(=O)C |
| InChIKey | PSEPWYXAIAKJJV-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate (CAS 86756-12-9), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl acetate.
Chemical Property Profile of 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate
Property Insights of 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate
The XLogP value of 3.7 indicates that 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl 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, 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl 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 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate?
The CAS number of 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate is 86756-12-9.
What is the molecular formula of 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate?
The molecular formula of 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate is C15H26O2.
What is the molecular weight of 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate?
The molecular weight of 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate is 238.19 g/mol.
Where can I buy 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate?
You can request a quote for 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.