Pentanal, 3-methyl-2-oxo-
TL;DR: Pentanal, 3-methyl-2-oxo- (CAS 117896-99-8) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-oxopentanal
Also Known As: 3-methyl-2-oxopentanal, sec-butylglyoxal, 3-methyl-2-oxo-pentanal, Pentanal, 3-methyl-2-oxo-, Pentanal,3-methyl-2-oxo-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.06808 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 Da |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
| SMILES | CCC(C)C(=O)C=O |
| InChIKey | BJDVEYLUFYKDIQ-UHFFFAOYSA-N |
Chemical Property Profile of Pentanal, 3-methyl-2-oxo-
Property Insights of Pentanal, 3-methyl-2-oxo-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanal, 3-methyl-2-oxo-. With a topological polar surface area (TPSA) of 34.1 Ų, Pentanal, 3-methyl-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanal, 3-methyl-2-oxo- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentanal, 3-methyl-2-oxo-?
The CAS number of Pentanal, 3-methyl-2-oxo- is 117896-99-8.
What is the molecular formula of Pentanal, 3-methyl-2-oxo-?
The molecular formula of Pentanal, 3-methyl-2-oxo- is C6H10O2.
What is the molecular weight of Pentanal, 3-methyl-2-oxo-?
The molecular weight of Pentanal, 3-methyl-2-oxo- is 114.06808 g/mol.
Where can I buy Pentanal, 3-methyl-2-oxo-?
You can request a quote for Pentanal, 3-methyl-2-oxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanal, 3-methyl-2-oxo-?
Yes, CoreyChem provides custom synthesis services for Pentanal, 3-methyl-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.