2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-
TL;DR: 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- (CAS 60026-24-6) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-, 4-(3-HYDROXYBUTYLIDENE)-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE, 2-Cyclohexen-1-one,4-(3-hydroxybutylidene)-3,5,5-trimethyl
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 60026-24-6 |
|---|---|
| SMILES | CC1=CC(=O)CC(C1=CCC(C)O)(C)C |
| InChIKey | JHWWVZZGBLPJPW-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- (CAS 60026-24-6), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-
Property Insights of 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- has 1 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 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-?
The CAS number of 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- is 60026-24-6.
What is the molecular formula of 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- is C13H20O2.
What is the molecular weight of 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- is 208.15 g/mol.
Where can I buy 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- 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-(3-hydroxybutylidene)-3,5,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.