Cyclohexanone, 2-methyl-5-(1-methylethyl)-
TL;DR: Cyclohexanone, 2-methyl-5-(1-methylethyl)- (CAS 59471-80-6) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-propan-2-ylcyclohexan-1-one
Also Known As: Carvomenthone, Tetrahydrocarvone, p-Menthan-2-one, p-Menthanone, perhydrocarvone
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| Boiling Point | 108.00 to 109.00 °C. @ 760.00 mm Hg |
| Density | 0.898-0.908 (20°) |
| Refractive Index | 1.451-1.457 |
Chemical Identifiers
| CAS Number | 59471-80-6 |
|---|---|
| SMILES | CC1CCC(CC1=O)C(C)C |
| InChIKey | GCRTVIUGJCJVDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanone, 2-methyl-5-(1-methylethyl)- (CAS 59471-80-6), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 2-methyl-5-propan-2-ylcyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 2-methyl-5-(1-methylethyl)-
Property Insights of Cyclohexanone, 2-methyl-5-(1-methylethyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 2-methyl-5-(1-methylethyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexanone, 2-methyl-5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 2-methyl-5-(1-methylethyl)- 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, 2-methyl-5-(1-methylethyl)-?
The CAS number of Cyclohexanone, 2-methyl-5-(1-methylethyl)- is 59471-80-6.
What is the molecular formula of Cyclohexanone, 2-methyl-5-(1-methylethyl)-?
The molecular formula of Cyclohexanone, 2-methyl-5-(1-methylethyl)- is C10H18O.
What is the molecular weight of Cyclohexanone, 2-methyl-5-(1-methylethyl)-?
The molecular weight of Cyclohexanone, 2-methyl-5-(1-methylethyl)- is 154.14 g/mol.
Where can I buy Cyclohexanone, 2-methyl-5-(1-methylethyl)-?
You can request a quote for Cyclohexanone, 2-methyl-5-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 2-methyl-5-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 2-methyl-5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.