4-Methylhex-5-enal
TL;DR: 4-Methylhex-5-enal (CAS 68235-57-4) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylhex-5-enal
Also Known As: 4-Methylhex-5-enal, 4-Methyl-5-hexenal, 5-Hexenal, 4-methyl-, EINECS 269-408-6, EINECS 299-797-8
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.7876 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 76.45601 |
Chemical Identifiers
| CAS Number | 68235-57-4 |
|---|---|
| SMILES | CC(CCC=O)C=C |
Product Overview
4-Methylhex-5-enal (CAS 68235-57-4), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 4-methylhex-5-enal.
Chemical Property Profile of 4-Methylhex-5-enal
Property Insights of 4-Methylhex-5-enal
The XLogP value of 1.7876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylhex-5-enal. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Methylhex-5-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylhex-5-enal 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 4-Methylhex-5-enal?
The CAS number of 4-Methylhex-5-enal is 68235-57-4.
What is the molecular formula of 4-Methylhex-5-enal?
The molecular formula of 4-Methylhex-5-enal is C7H12O.
What is the molecular weight of 4-Methylhex-5-enal?
The molecular weight of 4-Methylhex-5-enal is 112.09 g/mol.
Where can I buy 4-Methylhex-5-enal?
You can request a quote for 4-Methylhex-5-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylhex-5-enal?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylhex-5-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.