3-(Hydroxymethyl)-2-octanone
TL;DR: 3-(Hydroxymethyl)-2-octanone (CAS 59191-78-5) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)octan-2-one
Also Known As: 3-(Hydroxymethyl)octan-2-one, 3-(Hydroxymethyl)-2-octanone, 3-Hydroxymethyl-2-octanone, FEMA No. 3292, 2-Octanone, 3-(hydroxymethyl)-
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
| Density | 0.874-0.878 |
| Solubility | Slightly soluble in water; soluble in oils |
| Refractive Index | 1.416-1.422 |
Chemical Identifiers
| CAS Number | 59191-78-5 |
|---|---|
| SMILES | CCCCCC(CO)C(=O)C |
| InChIKey | XLFYWCDNLLZTIW-UHFFFAOYSA-N |
Product Overview
3-(Hydroxymethyl)-2-octanone (CAS 59191-78-5), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3-(hydroxymethyl)octan-2-one.
Chemical Property Profile of 3-(Hydroxymethyl)-2-octanone
Property Insights of 3-(Hydroxymethyl)-2-octanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)-2-octanone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Hydroxymethyl)-2-octanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)-2-octanone has 1 hydrogen bond donor(s) and 2 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-(Hydroxymethyl)-2-octanone?
The CAS number of 3-(Hydroxymethyl)-2-octanone is 59191-78-5.
What is the molecular formula of 3-(Hydroxymethyl)-2-octanone?
The molecular formula of 3-(Hydroxymethyl)-2-octanone is C9H18O2.
What is the molecular weight of 3-(Hydroxymethyl)-2-octanone?
The molecular weight of 3-(Hydroxymethyl)-2-octanone is 158.13 g/mol.
Where can I buy 3-(Hydroxymethyl)-2-octanone?
You can request a quote for 3-(Hydroxymethyl)-2-octanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)-2-octanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)-2-octanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.