(E)-3-ethylhept-3-en-2-one
TL;DR: (E)-3-ethylhept-3-en-2-one (CAS 180259-73-8) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-ethylhept-3-en-2-one
Also Known As: (E)-3-ethylhept-3-en-2-one, 3-ethylhept-3-en-2-one, (3E)-3-ethyl-3-hepten-2-one, 3-Hepten-2-one, 3-ethyl-, (E)- (9CI)
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.7119 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 133.6637 |
Chemical Identifiers
| CAS Number | 180259-73-8 |
|---|---|
| SMILES | CCC/C=C(\CC)/C(=O)C |
Product Overview
(E)-3-ethylhept-3-en-2-one (CAS 180259-73-8), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: (E)-3-ethylhept-3-en-2-one.
Chemical Property Profile of (E)-3-ethylhept-3-en-2-one
Property Insights of (E)-3-ethylhept-3-en-2-one
The XLogP value of 2.7119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-ethylhept-3-en-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, (E)-3-ethylhept-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-ethylhept-3-en-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 (E)-3-ethylhept-3-en-2-one?
The CAS number of (E)-3-ethylhept-3-en-2-one is 180259-73-8.
What is the molecular formula of (E)-3-ethylhept-3-en-2-one?
The molecular formula of (E)-3-ethylhept-3-en-2-one is C9H16O.
What is the molecular weight of (E)-3-ethylhept-3-en-2-one?
The molecular weight of (E)-3-ethylhept-3-en-2-one is 140.12 g/mol.
Where can I buy (E)-3-ethylhept-3-en-2-one?
You can request a quote for (E)-3-ethylhept-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-ethylhept-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-ethylhept-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.