3-羟基-2,2-二甲基丙醛
TL;DR: 3-羟基-2,2-二甲基丙醛 (CAS 597-31-9) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基-2,2-二甲基丙醛
3-hydroxy-2,2-dimethylpropanal
Also Known As: 3-Hydroxy-2,2-dimethylpropanal, Hydroxypivaldehyde, Pentaldol, Pentaaldol, Hydroxypivalaldehyde
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 597-31-9 |
|---|---|
| SMILES | CC(C)(CO)C=O |
| InChIKey | JJMOMMLADQPZNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基-2,2-二甲基丙醛 (CAS 597-31-9), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 3-hydroxy-2,2-dimethylpropanal.
Chemical Property Profile of 3-羟基-2,2-二甲基丙醛
Property Insights of 3-羟基-2,2-二甲基丙醛
The XLogP value of -0.1 indicates that 3-羟基-2,2-二甲基丙醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 3-羟基-2,2-二甲基丙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基-2,2-二甲基丙醛 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-羟基-2,2-二甲基丙醛?
The CAS number of 3-羟基-2,2-二甲基丙醛 is 597-31-9.
What is the molecular formula of 3-羟基-2,2-二甲基丙醛?
The molecular formula of 3-羟基-2,2-二甲基丙醛 is C5H10O2.
What is the molecular weight of 3-羟基-2,2-二甲基丙醛?
The molecular weight of 3-羟基-2,2-二甲基丙醛 is 102.07 g/mol.
Where can I buy 3-羟基-2,2-二甲基丙醛?
You can request a quote for 3-羟基-2,2-二甲基丙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-2,2-二甲基丙醛?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-2,2-二甲基丙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.