Heptanal, 2-methylene-
TL;DR: Heptanal, 2-methylene- (CAS 4125-23-9) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylideneheptanal
Also Known As: 2-methyleneheptanal, 2-Methyleneheptan-1-al, 2-methylideneheptanal, Heptanal, 2-methylene-, 2-Methyleneheptaneal
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 4125-23-9 |
|---|---|
| SMILES | CCCCCC(=C)C=O |
| InChIKey | LDGVIXYITWDQFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptanal, 2-methylene- (CAS 4125-23-9), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 2-methylideneheptanal.
Chemical Property Profile of Heptanal, 2-methylene-
Property Insights of Heptanal, 2-methylene-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanal, 2-methylene-. With a topological polar surface area (TPSA) of 17.1 Ų, Heptanal, 2-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanal, 2-methylene- 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 Heptanal, 2-methylene-?
The CAS number of Heptanal, 2-methylene- is 4125-23-9.
What is the molecular formula of Heptanal, 2-methylene-?
The molecular formula of Heptanal, 2-methylene- is C8H14O.
What is the molecular weight of Heptanal, 2-methylene-?
The molecular weight of Heptanal, 2-methylene- is 126.10 g/mol.
Where can I buy Heptanal, 2-methylene-?
You can request a quote for Heptanal, 2-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanal, 2-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Heptanal, 2-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.