1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone
TL;DR: 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone (CAS 68480-17-1) is a chemical compound with molecular formula C14H24O and molecular weight 208.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one
Also Known As: Dihydromethyl-alpha-ionone, 1- PENTAN-3-ONE, 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone, 3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, DIHYDROMETHYL-.ALPHA.-IONONE
| Molecular Formula | C14H24O |
|---|---|
| Molecular Weight | 208.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.18271 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 68480-17-1 |
|---|---|
| SMILES | CCC(=O)CCC1C(=CCCC1(C)C)C |
| InChIKey | KUZMAEUMYSXKOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone (CAS 68480-17-1), with molecular formula C14H24O and molecular weight 208.18 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one.
Chemical Property Profile of 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone
Property Insights of 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone
The XLogP value of 3.3 indicates that 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone 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-2-cyclohexen-1-yl)-3-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone 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-2-cyclohexen-1-yl)-3-pentanone?
The CAS number of 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone is 68480-17-1.
What is the molecular formula of 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone?
The molecular formula of 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone is C14H24O.
What is the molecular weight of 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone?
The molecular weight of 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone is 208.18 g/mol.
Where can I buy 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone?
You can request a quote for 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone 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-2-cyclohexen-1-yl)-3-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.