![Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester structure](/static/products/972/97259-73-9.png)
Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester
TL;DR: Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester (CAS 97259-73-9) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]methyl acetate
Also Known As: 7-acetoxy-p-menth-1-en-8-ol, [4-(2-hydroxypropyl)cyclohexen-1-yl]methyl acetate, 4-(2-Hydroxy-2-propyl)cyclohexene-1-methyl acetate, [4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]methyl acetate, Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 97259-73-9 |
|---|---|
| SMILES | CC(=O)OCC1=CCC(CC1)C(C)(C)O |
| InChIKey | GAJGPKMCPGWYGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester (CAS 97259-73-9), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: [4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]methyl acetate.
Chemical Property Profile of Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester
Property Insights of Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester has 1 hydrogen bond donor(s) and 3 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 Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester?
The CAS number of Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester is 97259-73-9.
What is the molecular formula of Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester?
The molecular formula of Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester is C12H20O3.
What is the molecular weight of Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester?
The molecular weight of Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester is 212.14 g/mol.
Where can I buy Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester?
You can request a quote for Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.