1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
TL;DR: 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone (CAS 3211-80-1) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-2-one
Also Known As: 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)acetone, 1-(3,5,5-trimethyl-2-cyclohexenylidene)acetone, 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone, 2-Propanone,1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, 1-(3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-YLIDENE)PROPAN-2-ONE
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 3211-80-1 |
|---|---|
| SMILES | CC1=CC(=CC(=O)C)CC(C1)(C)C |
| InChIKey | BPMFQXXZWSBLRP-UHFFFAOYSA-N |
Product Overview
1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone (CAS 3211-80-1), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-2-one.
Chemical Property Profile of 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
Property Insights of 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone 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-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone?
The CAS number of 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone is 3211-80-1.
What is the molecular formula of 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone?
The molecular formula of 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone is C12H18O.
What is the molecular weight of 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone?
The molecular weight of 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone is 178.14 g/mol.
Where can I buy 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone?
You can request a quote for 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.