2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)-
TL;DR: 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- (CAS 70941-45-6) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: Megastigmatrienone, Megastigmatrienone D, EINECS 225-943-7, (E,E)-4-(2-Butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one, 4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.4342 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 327.1447 |
Chemical Identifiers
| CAS Number | 70941-45-6 |
|---|---|
| SMILES | C/C=C/C=C1C(=CC(=O)CC1(C)C)C |
Product Overview
2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- (CAS 70941-45-6), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)-
Property Insights of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)-
The XLogP value of 3.4342 indicates that 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- has 0 hydrogen bond donor(s) and 1 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 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)-?
The CAS number of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- is 70941-45-6.
What is the molecular formula of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)-?
The molecular formula of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- is C13H18O.
What is the molecular weight of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)-?
The molecular weight of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- is 190.14 g/mol.
Where can I buy 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)-?
You can request a quote for 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (?,E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.