3,5-Dimethyl-4-octanone
TL;DR: 3,5-Dimethyl-4-octanone (CAS 7335-17-3) is a chemical compound with molecular formula C10H20O and molecular weight 156.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyloctan-4-one
Also Known As: 3,5-Dimethyl-4-octanone, 3,5-dimethyloctan-4-one, 2-Pentyl 2-butyl ketone, 4-Octanone,3,5-dimethyl-, 3,5-Dimethyl-4-octanone, erythro + threo
| Molecular Formula | C10H20O |
|---|---|
| Molecular Weight | 156.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.15141 |
| Heavy Atoms | 11 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 7335-17-3 |
|---|---|
| SMILES | CCCC(C)C(=O)C(C)CC |
| InChIKey | HIYIOWIWNUWNKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-octanone (CAS 7335-17-3), with molecular formula C10H20O and molecular weight 156.15 g/mol. IUPAC: 3,5-dimethyloctan-4-one.
Chemical Property Profile of 3,5-Dimethyl-4-octanone
Property Insights of 3,5-Dimethyl-4-octanone
The XLogP value of 3.3 indicates that 3,5-Dimethyl-4-octanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5-Dimethyl-4-octanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-octanone 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 3,5-Dimethyl-4-octanone?
The CAS number of 3,5-Dimethyl-4-octanone is 7335-17-3.
What is the molecular formula of 3,5-Dimethyl-4-octanone?
The molecular formula of 3,5-Dimethyl-4-octanone is C10H20O.
What is the molecular weight of 3,5-Dimethyl-4-octanone?
The molecular weight of 3,5-Dimethyl-4-octanone is 156.15 g/mol.
Where can I buy 3,5-Dimethyl-4-octanone?
You can request a quote for 3,5-Dimethyl-4-octanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-octanone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-octanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.