alpha,3,3-Trimethylcyclohexylmethyl formate
TL;DR: alpha,3,3-Trimethylcyclohexylmethyl formate (CAS 25225-08-5) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-dimethylcyclohexyl)ethyl formate
Also Known As: APHERMATE, 1-(3,3-dimethylcyclohexyl)ethyl formate, l-Cyclocitronellene formate, Cyclohexanemethanol, alpha,3,3-trimethyl-, formate, alpha,3,3-Trimethylcyclohexylmethyl formate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 25225-08-5 |
|---|---|
| SMILES | CC(C1CCCC(C1)(C)C)OC=O |
| InChIKey | NFASPEPDTMCBEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,3,3-Trimethylcyclohexylmethyl formate (CAS 25225-08-5), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 1-(3,3-dimethylcyclohexyl)ethyl formate.
Chemical Property Profile of alpha,3,3-Trimethylcyclohexylmethyl formate
Property Insights of alpha,3,3-Trimethylcyclohexylmethyl formate
The XLogP value of 3.6 indicates that alpha,3,3-Trimethylcyclohexylmethyl formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, alpha,3,3-Trimethylcyclohexylmethyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,3,3-Trimethylcyclohexylmethyl formate 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 alpha,3,3-Trimethylcyclohexylmethyl formate?
The CAS number of alpha,3,3-Trimethylcyclohexylmethyl formate is 25225-08-5.
What is the molecular formula of alpha,3,3-Trimethylcyclohexylmethyl formate?
The molecular formula of alpha,3,3-Trimethylcyclohexylmethyl formate is C11H20O2.
What is the molecular weight of alpha,3,3-Trimethylcyclohexylmethyl formate?
The molecular weight of alpha,3,3-Trimethylcyclohexylmethyl formate is 184.15 g/mol.
Where can I buy alpha,3,3-Trimethylcyclohexylmethyl formate?
You can request a quote for alpha,3,3-Trimethylcyclohexylmethyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,3,3-Trimethylcyclohexylmethyl formate?
Yes, KEHONG BIO provides custom synthesis services for alpha,3,3-Trimethylcyclohexylmethyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.