1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone
TL;DR: 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone (CAS 51733-68-7) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dimethylcyclohex-3-en-1-yl)ethanone
Also Known As: 1- ETHANONE, 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone, 1-(1,3-dimethylcyclohex-3-en-1-yl)ethanone, 1-(1,3-dimethylcyclohex-3-en-1-yl)ethan-1-one, Ethanone, 1-(1,3-dimethyl-3-cyclohexen-1-yl)-
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 51733-68-7 |
|---|---|
| SMILES | CC1=CCCC(C1)(C)C(=O)C |
| InChIKey | NGMHFVSDLMVOLY-UHFFFAOYSA-N |
Product Overview
1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone (CAS 51733-68-7), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 1-(1,3-dimethylcyclohex-3-en-1-yl)ethanone.
Chemical Property Profile of 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone
Property Insights of 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone 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-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone?
The CAS number of 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone is 51733-68-7.
What is the molecular formula of 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone?
The molecular formula of 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone is C10H16O.
What is the molecular weight of 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone?
The molecular weight of 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone is 152.12 g/mol.
Where can I buy 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone?
You can request a quote for 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.