2-(Hydroxymethyl)-2-methylbutanal
TL;DR: 2-(Hydroxymethyl)-2-methylbutanal (CAS 1112-47-6) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-methylbutanal
Also Known As: 2-(hydroxymethyl)-2-methylbutanal, NCIOpen2_003619, 2-methyl-2-ethyl-3-hydroxypropanal, 2-ethyl-2-(hydroxy- methyl)- Propanal, BUTANAL,2-(HYDROXYMETHYL)-2-METHYL-
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 1112-47-6 |
|---|---|
| SMILES | CCC(C)(CO)C=O |
| InChIKey | UCEILBKMJKUVFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Hydroxymethyl)-2-methylbutanal (CAS 1112-47-6), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 2-(hydroxymethyl)-2-methylbutanal.
Chemical Property Profile of 2-(Hydroxymethyl)-2-methylbutanal
Property Insights of 2-(Hydroxymethyl)-2-methylbutanal
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-2-methylbutanal. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Hydroxymethyl)-2-methylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-2-methylbutanal 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 2-(Hydroxymethyl)-2-methylbutanal?
The CAS number of 2-(Hydroxymethyl)-2-methylbutanal is 1112-47-6.
What is the molecular formula of 2-(Hydroxymethyl)-2-methylbutanal?
The molecular formula of 2-(Hydroxymethyl)-2-methylbutanal is C6H12O2.
What is the molecular weight of 2-(Hydroxymethyl)-2-methylbutanal?
The molecular weight of 2-(Hydroxymethyl)-2-methylbutanal is 116.08 g/mol.
Where can I buy 2-(Hydroxymethyl)-2-methylbutanal?
You can request a quote for 2-(Hydroxymethyl)-2-methylbutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-2-methylbutanal?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-2-methylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.