2-Methylenehexanal
TL;DR: 2-Methylenehexanal (CAS 1070-66-2) 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.
2-methylidenehexanal
Also Known As: 2-Methylenehexanal, 2-Butylacrolein, 2-methylidenehexanal, 2-Butylpropenal, 2-n-Butylacrolein
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 1070-66-2 |
|---|---|
| SMILES | CCCCC(=C)C=O |
| InChIKey | IWEWQGKFUYQGSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylenehexanal (CAS 1070-66-2), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 2-methylidenehexanal.
Chemical Property Profile of 2-Methylenehexanal
Property Insights of 2-Methylenehexanal
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylenehexanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methylenehexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylenehexanal 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-Methylenehexanal?
The CAS number of 2-Methylenehexanal is 1070-66-2.
What is the molecular formula of 2-Methylenehexanal?
The molecular formula of 2-Methylenehexanal is C7H12O.
What is the molecular weight of 2-Methylenehexanal?
The molecular weight of 2-Methylenehexanal is 112.09 g/mol.
Where can I buy 2-Methylenehexanal?
You can request a quote for 2-Methylenehexanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylenehexanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylenehexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.