2-(Isopropyl)-5-methylcyclohexen-1-yl acetate
TL;DR: 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate (CAS 20144-45-0) 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.
(5-methyl-2-propan-2-ylcyclohexen-1-yl) acetate
Also Known As: 2-5-methylcyclohexen-1-ylacetate, 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate, 2- -5-methylcyclohexen-1-ylacetate, 2-isopropyl-5-methylcyclohex-1-en-1-yl acetate, (5-methyl-2-propan-2-ylcyclohexen-1-yl) acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.9 |
| 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 | 251.0 |
Chemical Identifiers
| CAS Number | 20144-45-0 |
|---|---|
| SMILES | CC1CCC(=C(C1)OC(=O)C)C(C)C |
| InChIKey | ACRDFOPYQAGNPS-UHFFFAOYSA-N |
Product Overview
2-(Isopropyl)-5-methylcyclohexen-1-yl acetate (CAS 20144-45-0), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexen-1-yl) acetate.
Chemical Property Profile of 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate
Property Insights of 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isopropyl)-5-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 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate?
The CAS number of 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate is 20144-45-0.
What is the molecular formula of 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate?
The molecular formula of 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate is C12H20O2.
What is the molecular weight of 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate?
The molecular weight of 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate is 196.15 g/mol.
Where can I buy 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate?
You can request a quote for 2-(Isopropyl)-5-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 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.