Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-
TL;DR: Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- (CAS 58031-27-9) is a chemical compound with molecular formula C11H17ClO and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,2R)-1-chloro-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
Also Known As: Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-, 1-[(1R,2R)-1-chloro-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone, Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, cis-, 1-[(1R,2R)-1-Chloro-2,6,6-trimethylcyclohex-3-en-1-yl]ethan-1-one
| Molecular Formula | C11H17ClO |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 3.1752 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.09679 |
| Heavy Atoms | 13 |
| Complexity | 254.81589 |
Chemical Identifiers
| CAS Number | 58031-27-9 |
|---|---|
| SMILES | C[C@@H]1C=CCC([C@]1(C(=O)C)Cl)(C)C |
Product Overview
Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- (CAS 58031-27-9), with molecular formula C11H17ClO and molecular weight 200.10 g/mol. IUPAC: 1-[(1R,2R)-1-chloro-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone.
Chemical Property Profile of Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-
Property Insights of Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-
The XLogP value of 3.1752 indicates that Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- 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 Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-?
The CAS number of Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- is 58031-27-9.
What is the molecular formula of Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-?
The molecular formula of Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- is C11H17ClO.
What is the molecular weight of Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-?
The molecular weight of Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- is 200.10 g/mol.
Where can I buy Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-?
You can request a quote for Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(1-chloro-2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.