Ethyl 2-(3,3-dimethylcyclohexylidene)acetate
TL;DR: Ethyl 2-(3,3-dimethylcyclohexylidene)acetate (CAS 41370-28-9) 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.
ethyl 2-(3,3-dimethylcyclohexylidene)acetate
Also Known As: Ethyl (3,3-dimethylcyclohexyliden)acetat, ethyl 2-(3,3-dimethylcyclohexylidene)acetate, Ethyl cis-3,3-dimethylcyclohexylidene acetate, Acetic acid, (3,3-dimethylcyclohexylidene)-, ethyl ester, (Z)-, Acetic acid, (3,3-dimethylcyclohexylidene)-, ethyl ester, (2Z)-
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.0761 |
| 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 | 238.70628 |
Chemical Identifiers
| CAS Number | 41370-28-9 |
|---|---|
| SMILES | CCOC(=O)C=C1CCCC(C1)(C)C |
Product Overview
Ethyl 2-(3,3-dimethylcyclohexylidene)acetate (CAS 41370-28-9), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: ethyl 2-(3,3-dimethylcyclohexylidene)acetate.
Chemical Property Profile of Ethyl 2-(3,3-dimethylcyclohexylidene)acetate
Property Insights of Ethyl 2-(3,3-dimethylcyclohexylidene)acetate
The XLogP value of 3.0761 indicates that Ethyl 2-(3,3-dimethylcyclohexylidene)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, Ethyl 2-(3,3-dimethylcyclohexylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3,3-dimethylcyclohexylidene)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 Ethyl 2-(3,3-dimethylcyclohexylidene)acetate?
The CAS number of Ethyl 2-(3,3-dimethylcyclohexylidene)acetate is 41370-28-9.
What is the molecular formula of Ethyl 2-(3,3-dimethylcyclohexylidene)acetate?
The molecular formula of Ethyl 2-(3,3-dimethylcyclohexylidene)acetate is C12H20O2.
What is the molecular weight of Ethyl 2-(3,3-dimethylcyclohexylidene)acetate?
The molecular weight of Ethyl 2-(3,3-dimethylcyclohexylidene)acetate is 196.15 g/mol.
Where can I buy Ethyl 2-(3,3-dimethylcyclohexylidene)acetate?
You can request a quote for Ethyl 2-(3,3-dimethylcyclohexylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3,3-dimethylcyclohexylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3,3-dimethylcyclohexylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.