3-Hepten-2-one, (Z)-
TL;DR: 3-Hepten-2-one, (Z)- (CAS 69668-88-8) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-hept-3-en-2-one
Also Known As: Butylideneacetone, 3-Hepten-2-one, (Z)-, cis-hept-3-en-2-one, 3-Hepten-2-one, (3Z)-, 3-Hepten-2-one, -
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.9317 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 92.55995 |
Chemical Identifiers
| CAS Number | 69668-88-8 |
|---|---|
| SMILES | CCC/C=C\C(=O)C |
Product Overview
3-Hepten-2-one, (Z)- (CAS 69668-88-8), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: (Z)-hept-3-en-2-one.
Chemical Property Profile of 3-Hepten-2-one, (Z)-
Property Insights of 3-Hepten-2-one, (Z)-
The XLogP value of 1.9317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hepten-2-one, (Z)-. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Hepten-2-one, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hepten-2-one, (Z)- 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-Hepten-2-one, (Z)-?
The CAS number of 3-Hepten-2-one, (Z)- is 69668-88-8.
What is the molecular formula of 3-Hepten-2-one, (Z)-?
The molecular formula of 3-Hepten-2-one, (Z)- is C7H12O.
What is the molecular weight of 3-Hepten-2-one, (Z)-?
The molecular weight of 3-Hepten-2-one, (Z)- is 112.09 g/mol.
Where can I buy 3-Hepten-2-one, (Z)-?
You can request a quote for 3-Hepten-2-one, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hepten-2-one, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hepten-2-one, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.