2-Methyl-5-(1-methylethylidene)cyclohexyl acetate
TL;DR: 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate (CAS 13461-20-6) 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.
(2-methyl-5-propan-2-ylidenecyclohexyl) acetate
Also Known As: Terpenyl acetate, p-Menth-4(8)-en-2-yl acetate, 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate, (2-methyl-5-propan-2-ylidenecyclohexyl) acetate, p-Mentha-4(8)-ene-2-ol acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.0 |
| 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 | 249.0 |
Chemical Identifiers
| CAS Number | 13461-20-6 |
|---|---|
| SMILES | CC1CCC(=C(C)C)CC1OC(=O)C |
| InChIKey | FWULGWOARCUKCG-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-(1-methylethylidene)cyclohexyl acetate (CAS 13461-20-6), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (2-methyl-5-propan-2-ylidenecyclohexyl) acetate.
Chemical Property Profile of 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate
Property Insights of 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate
The XLogP value of 3.0 indicates that 2-Methyl-5-(1-methylethylidene)cyclohexyl 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, 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(1-methylethylidene)cyclohexyl 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-Methyl-5-(1-methylethylidene)cyclohexyl acetate?
The CAS number of 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate is 13461-20-6.
What is the molecular formula of 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate?
The molecular formula of 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate is C12H20O2.
What is the molecular weight of 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate?
The molecular weight of 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate is 196.15 g/mol.
Where can I buy 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate?
You can request a quote for 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(1-methylethylidene)cyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.