4,4,5-Trimethylcyclohex-2-en-1-one
TL;DR: 4,4,5-Trimethylcyclohex-2-en-1-one (CAS 17429-29-7) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5-trimethylcyclohex-2-en-1-one
Also Known As: 4,4,5-trimethylcyclohex-2-en-1-one, 4,4,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE, 4,4,5-Trimethyl-2-cyclohexenone, 4,4,5-trimethylcyclohex-2-enone, 2-Cyclohexen-1-one, 4,4,5-trimethyl-
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 17429-29-7 |
|---|---|
| SMILES | CC1CC(=O)C=CC1(C)C |
| InChIKey | SNCRCXQBWGLTDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,5-Trimethylcyclohex-2-en-1-one (CAS 17429-29-7), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 4,4,5-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 4,4,5-Trimethylcyclohex-2-en-1-one
Property Insights of 4,4,5-Trimethylcyclohex-2-en-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,5-Trimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4,4,5-Trimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5-Trimethylcyclohex-2-en-1-one 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 4,4,5-Trimethylcyclohex-2-en-1-one?
The CAS number of 4,4,5-Trimethylcyclohex-2-en-1-one is 17429-29-7.
What is the molecular formula of 4,4,5-Trimethylcyclohex-2-en-1-one?
The molecular formula of 4,4,5-Trimethylcyclohex-2-en-1-one is C9H14O.
What is the molecular weight of 4,4,5-Trimethylcyclohex-2-en-1-one?
The molecular weight of 4,4,5-Trimethylcyclohex-2-en-1-one is 138.10 g/mol.
Where can I buy 4,4,5-Trimethylcyclohex-2-en-1-one?
You can request a quote for 4,4,5-Trimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5-Trimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5-Trimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.