Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate
TL;DR: Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate (CAS 5441-56-5) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutan-2-yl)cyclohexyl] acetate
Also Known As: 4-tert-Pentylcyclohexyl acetate, 4-tert-Amylcyclohexylacetate, 4-tert-pentylcyclohexylacetate, 4-tert-Amylcyclohexyl acetate, 4-tert-amyl cyclohexyl acetate
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 5441-56-5 |
|---|---|
| SMILES | CCC(C)(C)C1CCC(CC1)OC(=O)C |
| InChIKey | NOFDWXVEAPTHCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate (CAS 5441-56-5), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: [4-(2-methylbutan-2-yl)cyclohexyl] acetate.
Chemical Property Profile of Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate
Property Insights of Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate
The XLogP value of 3.9 indicates that Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-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, Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-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 Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate?
The CAS number of Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate is 5441-56-5.
What is the molecular formula of Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate?
The molecular formula of Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate is C13H24O2.
What is the molecular weight of Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate?
The molecular weight of Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate is 212.18 g/mol.
Where can I buy Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate?
You can request a quote for Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.