1,3-Heptadiene
TL;DR: 1,3-Heptadiene (CAS 1002-26-2) is a chemical compound with molecular formula C7H12 and molecular weight 96.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-hepta-1,3-diene
Also Known As: 1,3-heptadiene, hepta-1,3-diene, heptadiene, 1,3-heptadiene, trans, (3E)-hepta-1,3-diene
Technical Specifications
| Molecular Formula | C7H12 |
| Molecular Weight | 96.0939 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 96.0939 Da |
| Heavy Atoms | 7 |
| Complexity | 60.0 |
| SMILES | CCC/C=C/C=C |
| InChIKey | OGQVROWWFUXRST-FNORWQNLSA-N |
Chemical Property Profile of 1,3-Heptadiene
Property Insights of 1,3-Heptadiene
The XLogP value of 3.1 indicates that 1,3-Heptadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Heptadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Heptadiene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Heptadiene?
The CAS number of 1,3-Heptadiene is 1002-26-2.
What is the molecular formula of 1,3-Heptadiene?
The molecular formula of 1,3-Heptadiene is C7H12.
What is the molecular weight of 1,3-Heptadiene?
The molecular weight of 1,3-Heptadiene is 96.0939 g/mol.
Where can I buy 1,3-Heptadiene?
You can request a quote for 1,3-Heptadiene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Heptadiene?
Yes, CoreyChem provides custom synthesis services for 1,3-Heptadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.