1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
TL;DR: 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- (CAS 71820-47-8) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,2R)-2,6,6-trimethylcyclohex-3-en-1-yl]butan-1-one
Also Known As: 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-butanone, 1-[(1R,2R)-2,6,6-trimethylcyclohex-3-en-1-yl]butan-1-one, RefChem:430906
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.594 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 237.62012 |
Chemical Identifiers
| CAS Number | 71820-47-8 |
|---|---|
| SMILES | CCCC(=O)[C@@H]1[C@@H](C=CCC1(C)C)C |
Product Overview
1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- (CAS 71820-47-8), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 1-[(1R,2R)-2,6,6-trimethylcyclohex-3-en-1-yl]butan-1-one.
Chemical Property Profile of 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
Property Insights of 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
The XLogP value of 3.594 indicates that 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- 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 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-?
The CAS number of 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- is 71820-47-8.
What is the molecular formula of 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-?
The molecular formula of 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- is C13H22O.
What is the molecular weight of 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-?
The molecular weight of 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- is 194.17 g/mol.
Where can I buy 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-?
You can request a quote for 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.