![(2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one structure](/static/products/1164/116497-11-1.webp)
(2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one
TL;DR: (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one (CAS 116497-11-1) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-2-en-1-one
Also Known As: alpha-Damascone, (s)-alpha-damascone, (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one, (2E)-1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-2-en-1-one, (E)-1-[(S)-2,6,6-Trimethyl-2-cyclohexenyl]-2-buten-1-one
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.5141 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 281.6107 |
Chemical Identifiers
| CAS Number | 116497-11-1 |
|---|---|
| SMILES | C/C=C/C(=O)[C@@H]1C(=CCCC1(C)C)C |
Product Overview
(2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one (CAS 116497-11-1), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: (E)-1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-2-en-1-one.
Chemical Property Profile of (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one
Property Insights of (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one
The XLogP value of 3.5141 indicates that (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-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 (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one?
The CAS number of (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one is 116497-11-1.
What is the molecular formula of (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one?
The molecular formula of (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one is C13H20O.
What is the molecular weight of (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one?
The molecular weight of (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one is 192.15 g/mol.
Where can I buy (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one?
You can request a quote for (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.