3-(Hydroxymethyl)-4,4-dimethylpentanal
TL;DR: 3-(Hydroxymethyl)-4,4-dimethylpentanal (CAS 56805-31-3) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-4,4-dimethylpentanal
Also Known As: 3-(Hydroxymethyl)-4,4-dimethylpentanal, 3- -4,4-dimethylpentanal, Pentanal, 3-(hydroxymethyl)-4,4-dimethyl-, 3-(Hydroxymethyl)-4,4-dimethylpentanal #, RefChem:275595
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 56805-31-3 |
|---|---|
| SMILES | CC(C)(C)C(CC=O)CO |
| InChIKey | YYUBOZUOXQHNSZ-UHFFFAOYSA-N |
Product Overview
3-(Hydroxymethyl)-4,4-dimethylpentanal (CAS 56805-31-3), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 3-(hydroxymethyl)-4,4-dimethylpentanal.
Chemical Property Profile of 3-(Hydroxymethyl)-4,4-dimethylpentanal
Property Insights of 3-(Hydroxymethyl)-4,4-dimethylpentanal
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)-4,4-dimethylpentanal. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Hydroxymethyl)-4,4-dimethylpentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)-4,4-dimethylpentanal 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)-4,4-dimethylpentanal?
The CAS number of 3-(Hydroxymethyl)-4,4-dimethylpentanal is 56805-31-3.
What is the molecular formula of 3-(Hydroxymethyl)-4,4-dimethylpentanal?
The molecular formula of 3-(Hydroxymethyl)-4,4-dimethylpentanal is C8H16O2.
What is the molecular weight of 3-(Hydroxymethyl)-4,4-dimethylpentanal?
The molecular weight of 3-(Hydroxymethyl)-4,4-dimethylpentanal is 144.12 g/mol.
Where can I buy 3-(Hydroxymethyl)-4,4-dimethylpentanal?
You can request a quote for 3-(Hydroxymethyl)-4,4-dimethylpentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)-4,4-dimethylpentanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)-4,4-dimethylpentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.