2-Pentanone, 4-cyclohexyl-4-methyl-
TL;DR: 2-Pentanone, 4-cyclohexyl-4-methyl- (CAS 4927-39-3) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-4-methylpentan-2-one
Also Known As: 4-Cyclohexyl-4-methylpentan-2-one, VETIVAL, 4-Cyclohexyl-4-methyl-pentan-2-one, 2-Pentanone, 4-cyclohexyl-4-methyl-, 4-Cyclohexyl-4-methyl-2-pentanone
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 4927-39-3 |
|---|---|
| SMILES | CC(=O)CC(C)(C)C1CCCCC1 |
| InChIKey | OAFJAALOFJVHMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentanone, 4-cyclohexyl-4-methyl- (CAS 4927-39-3), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 4-cyclohexyl-4-methylpentan-2-one.
Chemical Property Profile of 2-Pentanone, 4-cyclohexyl-4-methyl-
Property Insights of 2-Pentanone, 4-cyclohexyl-4-methyl-
The XLogP value of 3.8 indicates that 2-Pentanone, 4-cyclohexyl-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Pentanone, 4-cyclohexyl-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 4-cyclohexyl-4-methyl- 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 2-Pentanone, 4-cyclohexyl-4-methyl-?
The CAS number of 2-Pentanone, 4-cyclohexyl-4-methyl- is 4927-39-3.
What is the molecular formula of 2-Pentanone, 4-cyclohexyl-4-methyl-?
The molecular formula of 2-Pentanone, 4-cyclohexyl-4-methyl- is C12H22O.
What is the molecular weight of 2-Pentanone, 4-cyclohexyl-4-methyl-?
The molecular weight of 2-Pentanone, 4-cyclohexyl-4-methyl- is 182.17 g/mol.
Where can I buy 2-Pentanone, 4-cyclohexyl-4-methyl-?
You can request a quote for 2-Pentanone, 4-cyclohexyl-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentanone, 4-cyclohexyl-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, 4-cyclohexyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.