Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)-
TL;DR: Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- (CAS 71820-43-4) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(2R,6R)-2,6-dimethyl-4-(3-methylbutyl)cyclohexan-1-one
Also Known As: 2,6-Dimethyl-4-(3-methylbutyl)cyclohexanone, Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)-, (2R,6R)-2,6-dimethyl-4-(3-methylbutyl)cyclohexan-1-one, RefChem:580716
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 3.6739 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 181.41225 |
Chemical Identifiers
| CAS Number | 71820-43-4 |
|---|---|
| SMILES | C[C@@H]1CC(C[C@H](C1=O)C)CCC(C)C |
Product Overview
Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- (CAS 71820-43-4), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: trans-(2R,6R)-2,6-dimethyl-4-(3-methylbutyl)cyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)-
Property Insights of Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)-
The XLogP value of 3.6739 indicates that Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- 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, 2,6-dimethyl-4-(3-methylbutyl)-?
The CAS number of Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- is 71820-43-4.
What is the molecular formula of Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)-?
The molecular formula of Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- is C13H24O.
What is the molecular weight of Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)-?
The molecular weight of Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- is 196.18 g/mol.
Where can I buy Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)-?
You can request a quote for Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 2,6-dimethyl-4-(3-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.