(E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate
TL;DR: (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate (CAS 97890-05-6) 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.
[(2E)-2-(3,3-dimethylcyclohexylidene)ethyl] acetate
Also Known As: EINECS 308-183-1, EINECS 308-184-7, (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate, (Z)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate, 2-(3,3-dimethylcyclohexylidene)ethyl acetate
| 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 | 97890-05-6 |
|---|---|
| SMILES | CC(=O)OC/C=C/1\CCCC(C1)(C)C |
Product Overview
(E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate (CAS 97890-05-6), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: [(2E)-2-(3,3-dimethylcyclohexylidene)ethyl] acetate.
Chemical Property Profile of (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate
Property Insights of (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate
The XLogP value of 3.0761 indicates that (E)-2-(3,3-Dimethylcyclohexylidene)ethyl 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, (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(3,3-Dimethylcyclohexylidene)ethyl 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 (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate?
The CAS number of (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate is 97890-05-6.
What is the molecular formula of (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate?
The molecular formula of (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate is C12H20O2.
What is the molecular weight of (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate?
The molecular weight of (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate is 196.15 g/mol.
Where can I buy (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate?
You can request a quote for (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.