3-Octenal
TL;DR: 3-Octenal (CAS 60671-71-8) 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.
(E)-oct-3-enal
Also Known As: 3-octenal, trans-3-Octenal, (E)-oct-3-enal, oct-3-enal, 3-Octenal, (E)-
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.3218 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 84.56843 |
Chemical Identifiers
| CAS Number | 60671-71-8 |
|---|---|
| SMILES | CCCC/C=C/CC=O |
Product Overview
3-Octenal (CAS 60671-71-8), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: (E)-oct-3-enal.
Chemical Property Profile of 3-Octenal
Property Insights of 3-Octenal
The XLogP value of 2.3218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Octenal. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Octenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octenal 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 3-Octenal?
The CAS number of 3-Octenal is 60671-71-8.
What is the molecular formula of 3-Octenal?
The molecular formula of 3-Octenal is C8H14O.
What is the molecular weight of 3-Octenal?
The molecular weight of 3-Octenal is 126.10 g/mol.
Where can I buy 3-Octenal?
You can request a quote for 3-Octenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Octenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.