3-(Isopropyl)-6-methylcyclohexen-1-yl acetate
TL;DR: 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate (CAS 85392-37-6) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-propan-2-ylcyclohexen-1-yl) acetate
Also Known As: 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate, EINECS 286-896-6, 3- -6-methylcyclohexen-1-ylacetate, (6-methyl-3-propan-2-ylcyclohexen-1-yl) acetate, 6-Methyl-3-(propan-2-yl)cyclohex-1-en-1-yl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.1355 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 240.70628 |
Chemical Identifiers
| CAS Number | 85392-37-6 |
|---|---|
| SMILES | CC1CCC(C=C1OC(=O)C)C(C)C |
Product Overview
3-(Isopropyl)-6-methylcyclohexen-1-yl acetate (CAS 85392-37-6), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (6-methyl-3-propan-2-ylcyclohexen-1-yl) acetate.
Chemical Property Profile of 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate
Property Insights of 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate
The XLogP value of 3.1355 indicates that 3-(Isopropyl)-6-methylcyclohexen-1-yl 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, 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Isopropyl)-6-methylcyclohexen-1-yl 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-(Isopropyl)-6-methylcyclohexen-1-yl acetate?
The CAS number of 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate is 85392-37-6.
What is the molecular formula of 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate?
The molecular formula of 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate is C12H20O2.
What is the molecular weight of 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate?
The molecular weight of 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate is 196.15 g/mol.
Where can I buy 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate?
You can request a quote for 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Isopropyl)-6-methylcyclohexen-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.