4,8-Dimethyl-3,7-nonadien-2-one
TL;DR: 4,8-Dimethyl-3,7-nonadien-2-one (CAS 27539-94-2) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-4,8-dimethylnona-3,7-dien-2-one
Also Known As: 4,8-DIMETHYL-3,7-NONADIEN-2-ONE, FEMA No. 3969, (3E)-4,8-dimethylnona-3,7-dien-2-one, 4,8-Dimethylnona-3,7-dien-2-one, FEMA No. 3969, E-
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 3.2681 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 205.044 |
Chemical Identifiers
| CAS Number | 27539-94-2 |
|---|---|
| SMILES | CC(=CCC/C(=C/C(=O)C)/C)C |
Product Overview
4,8-Dimethyl-3,7-nonadien-2-one (CAS 27539-94-2), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: (3E)-4,8-dimethylnona-3,7-dien-2-one.
Chemical Property Profile of 4,8-Dimethyl-3,7-nonadien-2-one
Property Insights of 4,8-Dimethyl-3,7-nonadien-2-one
The XLogP value of 3.2681 indicates that 4,8-Dimethyl-3,7-nonadien-2-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, 4,8-Dimethyl-3,7-nonadien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8-Dimethyl-3,7-nonadien-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 4,8-Dimethyl-3,7-nonadien-2-one?
The CAS number of 4,8-Dimethyl-3,7-nonadien-2-one is 27539-94-2.
What is the molecular formula of 4,8-Dimethyl-3,7-nonadien-2-one?
The molecular formula of 4,8-Dimethyl-3,7-nonadien-2-one is C11H18O.
What is the molecular weight of 4,8-Dimethyl-3,7-nonadien-2-one?
The molecular weight of 4,8-Dimethyl-3,7-nonadien-2-one is 166.14 g/mol.
Where can I buy 4,8-Dimethyl-3,7-nonadien-2-one?
You can request a quote for 4,8-Dimethyl-3,7-nonadien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-Dimethyl-3,7-nonadien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,8-Dimethyl-3,7-nonadien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.