3-(3,3-Dimethylbutyl)cyclohexanone
TL;DR: 3-(3,3-Dimethylbutyl)cyclohexanone (CAS 40564-94-1) 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.
3-(3,3-dimethylbutyl)cyclohexan-1-one
Also Known As: 3-(3,3-Dimethylbutyl)cyclohexanone, 3-(3,3-dimethylbutyl)cyclohexan-1-one, Cyclohexanone, 3-(3,3-dimethylbutyl)-, 3-(3,3-Dimethylbutyl)cyclohexanone #, 3-(3,3-Dimethylbutyl)-1-cyclohexanone
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.6 |
| 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 | 40564-94-1 |
|---|---|
| SMILES | CC(C)(C)CCC1CCCC(=O)C1 |
| InChIKey | VRNWCRVRHPXEIV-UHFFFAOYSA-N |
Product Overview
3-(3,3-Dimethylbutyl)cyclohexanone (CAS 40564-94-1), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 3-(3,3-dimethylbutyl)cyclohexan-1-one.
Chemical Property Profile of 3-(3,3-Dimethylbutyl)cyclohexanone
Property Insights of 3-(3,3-Dimethylbutyl)cyclohexanone
The XLogP value of 3.6 indicates that 3-(3,3-Dimethylbutyl)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, 3-(3,3-Dimethylbutyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,3-Dimethylbutyl)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 3-(3,3-Dimethylbutyl)cyclohexanone?
The CAS number of 3-(3,3-Dimethylbutyl)cyclohexanone is 40564-94-1.
What is the molecular formula of 3-(3,3-Dimethylbutyl)cyclohexanone?
The molecular formula of 3-(3,3-Dimethylbutyl)cyclohexanone is C12H22O.
What is the molecular weight of 3-(3,3-Dimethylbutyl)cyclohexanone?
The molecular weight of 3-(3,3-Dimethylbutyl)cyclohexanone is 182.17 g/mol.
Where can I buy 3-(3,3-Dimethylbutyl)cyclohexanone?
You can request a quote for 3-(3,3-Dimethylbutyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,3-Dimethylbutyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-Dimethylbutyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.