2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl-
TL;DR: 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- (CAS 87791-00-2) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-one
Also Known As: p-menth-1-en-3-on-8-ol, 2-Cyclohexen-1-one,6- -3-methyl-, 6-(1-Hydroxy-1-methylethyl)-3-methyl-2-cyclohexen-1-one, 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl-, 6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-one
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 87791-00-2 |
|---|---|
| SMILES | CC1=CC(=O)C(CC1)C(C)(C)O |
| InChIKey | NESBMOKWNSKETJ-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- (CAS 87791-00-2), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl-
Property Insights of 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- 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, 6-(1-hydroxy-1-methylethyl)-3-methyl-?
The CAS number of 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- is 87791-00-2.
What is the molecular formula of 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl-?
The molecular formula of 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- is C10H16O2.
What is the molecular weight of 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl-?
The molecular weight of 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- is 168.12 g/mol.
Where can I buy 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl-?
You can request a quote for 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- 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, 6-(1-hydroxy-1-methylethyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 6-(1-hydroxy-1-methylethyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.