2,2-二甲基丙醛
TL;DR: 2,2-二甲基丙醛 (CAS 630-19-3) is a chemical compound with molecular formula C5H10O and molecular weight 86.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二甲基丙醛
2,2-dimethylpropanal
Also Known As: Trimethylacetaldehyde, Pivaldehyde, PIVALALDEHYDE, 2,2-Dimethylpropanal, Neopentanal
| Molecular Formula | C5H10O |
|---|---|
| Molecular Weight | 86.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.073166 |
| Heavy Atoms | 6 |
| Complexity | 49.0 |
| Vapor Pressure | 71.2 [mmHg] |
Chemical Identifiers
| CAS Number | 630-19-3 |
|---|---|
| SMILES | CC(C)(C)C=O |
| InChIKey | FJJYHTVHBVXEEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二甲基丙醛 (CAS 630-19-3), with molecular formula C5H10O and molecular weight 86.07 g/mol. IUPAC: 2,2-dimethylpropanal.
Chemical Property Profile of 2,2-二甲基丙醛
Property Insights of 2,2-二甲基丙醛
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基丙醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-二甲基丙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基丙醛 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 2,2-二甲基丙醛?
The CAS number of 2,2-二甲基丙醛 is 630-19-3.
What is the molecular formula of 2,2-二甲基丙醛?
The molecular formula of 2,2-二甲基丙醛 is C5H10O.
What is the molecular weight of 2,2-二甲基丙醛?
The molecular weight of 2,2-二甲基丙醛 is 86.07 g/mol.
Where can I buy 2,2-二甲基丙醛?
You can request a quote for 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 2,2-二甲基丙醛?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基丙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.