1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
TL;DR: 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one (CAS 35044-68-9) 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.
1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
Also Known As: beta-Damascone, damascone, alpha-Damascone, A-Damascone, (E)-beta-Damascone
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 35044-68-9 |
|---|---|
| SMILES | CC=CC(=O)C1=C(CCCC1(C)C)C |
| InChIKey | BGTBFNDXYDYBEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one (CAS 35044-68-9), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one.
Chemical Property Profile of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
Property Insights of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
The XLogP value of 3.5 indicates that 1-(2,6,6-Trimethyl-1-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 17.1 Ų, 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-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)-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 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
The CAS number of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is 35044-68-9.
What is the molecular formula of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
The molecular formula of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is C13H20O.
What is the molecular weight of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
The molecular weight of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is 192.15 g/mol.
Where can I buy 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
You can request a quote for 1-(2,6,6-Trimethyl-1-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 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.