2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-
TL;DR: 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl- (CAS 27185-79-1) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxybutyl)-2,4,4-trimethylcyclohex-2-en-1-one
Also Known As: Dihydro-3-oxo-.beta.-ionol, 9-Hydroxy-5-megastigmen-4-one, 4-Oxo-7,8-dihydro-.beta.-ionol, 3-(3-hydroxybutyl)-2,4,4-trimethylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 27185-79-1 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C)CCC(C)O |
| InChIKey | KNHUHSLRIKTCIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl- (CAS 27185-79-1), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 3-(3-hydroxybutyl)-2,4,4-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-
Property Insights of 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-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, 3-(3-hydroxybutyl)-2,4,4-trimethyl-?
The CAS number of 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl- is 27185-79-1.
What is the molecular formula of 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl- is C13H22O2.
What is the molecular weight of 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl- is 210.16 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-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, 3-(3-hydroxybutyl)-2,4,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.