5-Methyl-3-hepten-2-one
TL;DR: 5-Methyl-3-hepten-2-one (CAS 875587-77-2) 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)-5-methylhept-3-en-2-one
Also Known As: 5-Methyl-3-hepten-2-one, (E)-5-methylhept-3-en-2-one, 3-Hepten-2-one, 5-methyl-, 5-methylhepta-3-en-2-one, 5-methyl-hept-3-en-2-one
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.1777 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 113.736046 |
Chemical Identifiers
| CAS Number | 875587-77-2 |
|---|---|
| SMILES | CCC(C)/C=C/C(=O)C |
Product Overview
5-Methyl-3-hepten-2-one (CAS 875587-77-2), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: (E)-5-methylhept-3-en-2-one.
Chemical Property Profile of 5-Methyl-3-hepten-2-one
Property Insights of 5-Methyl-3-hepten-2-one
The XLogP value of 2.1777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-hepten-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 5-Methyl-3-hepten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-hepten-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 5-Methyl-3-hepten-2-one?
The CAS number of 5-Methyl-3-hepten-2-one is 875587-77-2.
What is the molecular formula of 5-Methyl-3-hepten-2-one?
The molecular formula of 5-Methyl-3-hepten-2-one is C8H14O.
What is the molecular weight of 5-Methyl-3-hepten-2-one?
The molecular weight of 5-Methyl-3-hepten-2-one is 126.10 g/mol.
Where can I buy 5-Methyl-3-hepten-2-one?
You can request a quote for 5-Methyl-3-hepten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-hepten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-hepten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.