4,4,8-Trimethyl-5,7-decadien-2-one
TL;DR: 4,4,8-Trimethyl-5,7-decadien-2-one (CAS 67801-41-6) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,8-trimethyldeca-5,7-dien-2-one
Also Known As: 5,7-Decadien-2-one, 4,4,8-trimethyl-, 4,4,8-trimethyldeca-5,7-dien-2-one, 4,4,8-Trimethyl-5,7-decadien-2-one, TRIMETHYL-5,7-DECADIEN-2-ONE, 267-161-9
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 67801-41-6 |
|---|---|
| SMILES | CCC(=CC=CC(C)(C)CC(=O)C)C |
| InChIKey | VPZYONTUNFBDMF-UHFFFAOYSA-N |
Product Overview
4,4,8-Trimethyl-5,7-decadien-2-one (CAS 67801-41-6), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 4,4,8-trimethyldeca-5,7-dien-2-one.
Chemical Property Profile of 4,4,8-Trimethyl-5,7-decadien-2-one
Property Insights of 4,4,8-Trimethyl-5,7-decadien-2-one
The XLogP value of 3.8 indicates that 4,4,8-Trimethyl-5,7-decadien-2-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, 4,4,8-Trimethyl-5,7-decadien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,8-Trimethyl-5,7-decadien-2-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 4,4,8-Trimethyl-5,7-decadien-2-one?
The CAS number of 4,4,8-Trimethyl-5,7-decadien-2-one is 67801-41-6.
What is the molecular formula of 4,4,8-Trimethyl-5,7-decadien-2-one?
The molecular formula of 4,4,8-Trimethyl-5,7-decadien-2-one is C13H22O.
What is the molecular weight of 4,4,8-Trimethyl-5,7-decadien-2-one?
The molecular weight of 4,4,8-Trimethyl-5,7-decadien-2-one is 194.17 g/mol.
Where can I buy 4,4,8-Trimethyl-5,7-decadien-2-one?
You can request a quote for 4,4,8-Trimethyl-5,7-decadien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,8-Trimethyl-5,7-decadien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4,8-Trimethyl-5,7-decadien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.