2-Benzylideneheptanal
TL;DR: 2-Benzylideneheptanal (CAS 101365-36-0) is a chemical compound with molecular formula C14H18O and molecular weight 202.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-benzylideneheptanal
Also Known As: 2-Benzylideneheptanal, Jasminaldehyde, Jasminal, Flomine, Amyl cinnamal
Technical Specifications
| Molecular Formula | C14H18O |
| Molecular Weight | 202.13577 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.13577 Da |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
| SMILES | CCCCC/C(=C/C1=CC=CC=C1)/C=O |
| InChIKey | HMKKIXGYKWDQSV-KAMYIIQDSA-N |
Chemical Property Profile of 2-Benzylideneheptanal
Property Insights of 2-Benzylideneheptanal
The XLogP value of 4.2 indicates that 2-Benzylideneheptanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Benzylideneheptanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylideneheptanal 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 2-Benzylideneheptanal?
The CAS number of 2-Benzylideneheptanal is 101365-36-0.
What is the molecular formula of 2-Benzylideneheptanal?
The molecular formula of 2-Benzylideneheptanal is C14H18O.
What is the molecular weight of 2-Benzylideneheptanal?
The molecular weight of 2-Benzylideneheptanal is 202.13577 g/mol.
Where can I buy 2-Benzylideneheptanal?
You can request a quote for 2-Benzylideneheptanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzylideneheptanal?
Yes, CoreyChem provides custom synthesis services for 2-Benzylideneheptanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.