3-Octen-2-one
TL;DR: 3-Octen-2-one (CAS 18402-82-9) 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.
(E)-oct-3-en-2-one
Also Known As: 3-OCTEN-2-ONE, (E)-Oct-3-en-2-one, trans-3-Octen-2-one, oct-3-en-2-one, (E)-3-Octen-2-one
| 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 | 4 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 103.13526 |
Chemical Identifiers
| CAS Number | 18402-82-9 |
|---|---|
| SMILES | CCCC/C=C/C(=O)C |
Product Overview
3-Octen-2-one (CAS 18402-82-9), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: (E)-oct-3-en-2-one.
Chemical Property Profile of 3-Octen-2-one
Property Insights of 3-Octen-2-one
The XLogP value of 2.3218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Octen-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Octen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octen-2-one 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-Octen-2-one?
The CAS number of 3-Octen-2-one is 18402-82-9.
What is the molecular formula of 3-Octen-2-one?
The molecular formula of 3-Octen-2-one is C8H14O.
What is the molecular weight of 3-Octen-2-one?
The molecular weight of 3-Octen-2-one is 126.10 g/mol.
Where can I buy 3-Octen-2-one?
You can request a quote for 3-Octen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Octen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.