4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate
TL;DR: 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate (CAS 95046-35-8) 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.
(1-methyl-4-propan-2-ylcyclohex-3-en-1-yl) acetate
Also Known As: 1-Terpineol, acetate, Terpinen-1-yl, acetate, EINECS 305-823-1, 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate, 4- -1-methylcyclohex-3-en-1-ylacetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 95046-35-8 |
|---|---|
| SMILES | CC(C)C1=CCC(CC1)(C)OC(=O)C |
| InChIKey | HTFJGCGGTGREIF-UHFFFAOYSA-N |
Product Overview
4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate (CAS 95046-35-8), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (1-methyl-4-propan-2-ylcyclohex-3-en-1-yl) acetate.
Chemical Property Profile of 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate
Property Insights of 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Isopropyl)-1-methylcyclohex-3-en-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 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate?
The CAS number of 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate is 95046-35-8.
What is the molecular formula of 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate?
The molecular formula of 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate is C12H20O2.
What is the molecular weight of 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate?
The molecular weight of 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate is 196.15 g/mol.
Where can I buy 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate?
You can request a quote for 4-(Isopropyl)-1-methylcyclohex-3-en-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 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isopropyl)-1-methylcyclohex-3-en-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.