2-(1-Methylheptyl)cyclohexanone
TL;DR: 2-(1-Methylheptyl)cyclohexanone (CAS 54549-90-5) is a chemical compound with molecular formula C14H26O and molecular weight 210.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octan-2-ylcyclohexan-1-one
Also Known As: 2- cyclohexanone, 2-(1-Methylheptyl)cyclohexanone, 2-octan-2-ylcyclohexan-1-one, Cyclohexanone, 2-(1-methylheptyl)-, 2-(octan-2-yl)cyclohexan-1-one
| Molecular Formula | C14H26O |
|---|---|
| Molecular Weight | 210.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.19836 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 54549-90-5 |
|---|---|
| SMILES | CCCCCCC(C)C1CCCCC1=O |
| InChIKey | BQMQNEXTTHKHPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Methylheptyl)cyclohexanone (CAS 54549-90-5), with molecular formula C14H26O and molecular weight 210.20 g/mol. IUPAC: 2-octan-2-ylcyclohexan-1-one.
Chemical Property Profile of 2-(1-Methylheptyl)cyclohexanone
Property Insights of 2-(1-Methylheptyl)cyclohexanone
The XLogP value of 5.0 indicates that 2-(1-Methylheptyl)cyclohexanone 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-(1-Methylheptyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methylheptyl)cyclohexanone 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-(1-Methylheptyl)cyclohexanone?
The CAS number of 2-(1-Methylheptyl)cyclohexanone is 54549-90-5.
What is the molecular formula of 2-(1-Methylheptyl)cyclohexanone?
The molecular formula of 2-(1-Methylheptyl)cyclohexanone is C14H26O.
What is the molecular weight of 2-(1-Methylheptyl)cyclohexanone?
The molecular weight of 2-(1-Methylheptyl)cyclohexanone is 210.20 g/mol.
Where can I buy 2-(1-Methylheptyl)cyclohexanone?
You can request a quote for 2-(1-Methylheptyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylheptyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylheptyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.