3-Methylhexanal
TL;DR: 3-Methylhexanal (CAS 110065-42-4) is a chemical compound with molecular formula C7H14O and molecular weight 114.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylhexanal
Also Known As: 3-Methylhexanal, Hexanal, 3-methyl-, 3-methyl hexanal, 3-methyl-hexanal, Hexanal,3-methyl-
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O |
| Molecular Weight | 114.10446 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.10446 Da |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
| Density | 0.800-0.805 |
| Refractive Index | 1.409-1.414 |
| Solubility | Very slightly soluble in water; soluble in pentane and diethyl ether |
| SMILES | CCCC(C)CC=O |
| InChIKey | ZSJUABCTGCNBPF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylhexanal
Property Insights of 3-Methylhexanal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylhexanal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methylhexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylhexanal 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
What is the CAS number of 3-Methylhexanal?
The CAS number of 3-Methylhexanal is 110065-42-4.
What is the molecular formula of 3-Methylhexanal?
The molecular formula of 3-Methylhexanal is C7H14O.
What is the molecular weight of 3-Methylhexanal?
The molecular weight of 3-Methylhexanal is 114.10446 g/mol.
Where can I buy 3-Methylhexanal?
You can request a quote for 3-Methylhexanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylhexanal?
Yes, CoreyChem provides custom synthesis services for 3-Methylhexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.