6,8,8-Trimethyl-2,5-nonadien-4-one
TL;DR: 6,8,8-Trimethyl-2,5-nonadien-4-one (CAS 96097-18-6) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8,8-trimethylnona-2,5-dien-4-one
Also Known As: 6,8,8-Trimethylnona-2,5-dien-4-one, 6,8,8-Trimethyl-2,5-nonadien-4-one
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.5141 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 225.99925 |
Chemical Identifiers
| CAS Number | 96097-18-6 |
|---|---|
| SMILES | CC=CC(=O)C=C(C)CC(C)(C)C |
Product Overview
6,8,8-Trimethyl-2,5-nonadien-4-one (CAS 96097-18-6), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 6,8,8-trimethylnona-2,5-dien-4-one.
Chemical Property Profile of 6,8,8-Trimethyl-2,5-nonadien-4-one
Property Insights of 6,8,8-Trimethyl-2,5-nonadien-4-one
The XLogP value of 3.5141 indicates that 6,8,8-Trimethyl-2,5-nonadien-4-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, 6,8,8-Trimethyl-2,5-nonadien-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8,8-Trimethyl-2,5-nonadien-4-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 6,8,8-Trimethyl-2,5-nonadien-4-one?
The CAS number of 6,8,8-Trimethyl-2,5-nonadien-4-one is 96097-18-6.
What is the molecular formula of 6,8,8-Trimethyl-2,5-nonadien-4-one?
The molecular formula of 6,8,8-Trimethyl-2,5-nonadien-4-one is C12H20O.
What is the molecular weight of 6,8,8-Trimethyl-2,5-nonadien-4-one?
The molecular weight of 6,8,8-Trimethyl-2,5-nonadien-4-one is 180.15 g/mol.
Where can I buy 6,8,8-Trimethyl-2,5-nonadien-4-one?
You can request a quote for 6,8,8-Trimethyl-2,5-nonadien-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8,8-Trimethyl-2,5-nonadien-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8,8-Trimethyl-2,5-nonadien-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.