Cyclohexanone, 5-methyl-2-(1-methylethenyl)-
TL;DR: Cyclohexanone, 5-methyl-2-(1-methylethenyl)- (CAS 529-00-0) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
Also Known As: Isopulegone, Isopulegon, cis-isopulegone, trans-Isopulegone, (+)-Isopulegone
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
| Boiling Point | 101.00 to 102.00 °C. @ 17.00 mm Hg |
| Solubility | slightly |
Chemical Identifiers
| CAS Number | 529-00-0 |
|---|---|
| SMILES | CC1CCC(C(=O)C1)C(=C)C |
| InChIKey | RMIANEGNSBUGDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanone, 5-methyl-2-(1-methylethenyl)- (CAS 529-00-0), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 5-methyl-2-prop-1-en-2-ylcyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 5-methyl-2-(1-methylethenyl)-
Property Insights of Cyclohexanone, 5-methyl-2-(1-methylethenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 5-methyl-2-(1-methylethenyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexanone, 5-methyl-2-(1-methylethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 5-methyl-2-(1-methylethenyl)- 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 Cyclohexanone, 5-methyl-2-(1-methylethenyl)-?
The CAS number of Cyclohexanone, 5-methyl-2-(1-methylethenyl)- is 529-00-0.
What is the molecular formula of Cyclohexanone, 5-methyl-2-(1-methylethenyl)-?
The molecular formula of Cyclohexanone, 5-methyl-2-(1-methylethenyl)- is C10H16O.
What is the molecular weight of Cyclohexanone, 5-methyl-2-(1-methylethenyl)-?
The molecular weight of Cyclohexanone, 5-methyl-2-(1-methylethenyl)- is 152.12 g/mol.
Where can I buy Cyclohexanone, 5-methyl-2-(1-methylethenyl)-?
You can request a quote for Cyclohexanone, 5-methyl-2-(1-methylethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 5-methyl-2-(1-methylethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 5-methyl-2-(1-methylethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.