3-Butyl-3-methylcyclohexanone
TL;DR: 3-Butyl-3-methylcyclohexanone (CAS 51756-29-7) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-3-methylcyclohexan-1-one
Also Known As: 3-Butyl-3-methylcyclohexanone, 3-butyl-3-methylcyclohexan-1-one, 3-Butyl-3-methylcyclohexanone #, 1-Cyclohexanone, 3-butyl-3-methyl-, J1.147.077G
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 51756-29-7 |
|---|---|
| SMILES | CCCCC1(CCCC(=O)C1)C |
| InChIKey | LRZIMYVFZMSTKI-UHFFFAOYSA-N |
Product Overview
3-Butyl-3-methylcyclohexanone (CAS 51756-29-7), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 3-butyl-3-methylcyclohexan-1-one.
Chemical Property Profile of 3-Butyl-3-methylcyclohexanone
Property Insights of 3-Butyl-3-methylcyclohexanone
The XLogP value of 3.4 indicates that 3-Butyl-3-methylcyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Butyl-3-methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-3-methylcyclohexanone 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 3-Butyl-3-methylcyclohexanone?
The CAS number of 3-Butyl-3-methylcyclohexanone is 51756-29-7.
What is the molecular formula of 3-Butyl-3-methylcyclohexanone?
The molecular formula of 3-Butyl-3-methylcyclohexanone is C11H20O.
What is the molecular weight of 3-Butyl-3-methylcyclohexanone?
The molecular weight of 3-Butyl-3-methylcyclohexanone is 168.15 g/mol.
Where can I buy 3-Butyl-3-methylcyclohexanone?
You can request a quote for 3-Butyl-3-methylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-3-methylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-3-methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.