1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
TL;DR: 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one (CAS 127-43-5) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
Also Known As: beta methyl ionone, beta-Methyl ionone, 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one, EC 264-140-6, 1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 127-43-5 |
|---|---|
| SMILES | CCC(=O)C=CC1=C(CCCC1(C)C)C |
| InChIKey | LMWNGLDCJDIIBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one (CAS 127-43-5), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one.
Chemical Property Profile of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
Property Insights of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
The XLogP value of 3.4 indicates that 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-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 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one?
The CAS number of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one is 127-43-5.
What is the molecular formula of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one?
The molecular formula of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one is C14H22O.
What is the molecular weight of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one?
The molecular weight of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one is 206.17 g/mol.
Where can I buy 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one?
You can request a quote for 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.