(E)-6-Methyl-3-hepten-2-one
TL;DR: (E)-6-Methyl-3-hepten-2-one (CAS 20859-10-3) is a chemical compound with molecular formula CC(C)CC=CC(=O)C and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylhept-3-en-2-one
Also Known As: Isoamylidenaceton, 6-methylhept-3-en-2-one, 6-Methyl-3-hepten-2-one, (E)-6-methylhept-3-en-2-one, 3-Hepten-2-one,6-methyl-
| Molecular Formula | CC(C)CC=CC(=O)C |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
| Density | 0.840-0.850 |
| Solubility | insoluble in water; soluble in fats and non-polar solvents |
| Refractive Index | 1.438-1.447 |
Chemical Identifiers
| CAS Number | 20859-10-3 |
|---|---|
| SMILES | CC(C)CC=CC(=O)C |
| InChIKey | RSNMTAYSENLHOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-6-Methyl-3-hepten-2-one (CAS 20859-10-3), with molecular formula CC(C)CC=CC(=O)C and molecular weight 126.10 g/mol. IUPAC: 6-methylhept-3-en-2-one.
Chemical Property Profile of (E)-6-Methyl-3-hepten-2-one
Property Insights of (E)-6-Methyl-3-hepten-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-Methyl-3-hepten-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, (E)-6-Methyl-3-hepten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-6-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 (E)-6-Methyl-3-hepten-2-one?
The CAS number of (E)-6-Methyl-3-hepten-2-one is 20859-10-3.
What is the molecular formula of (E)-6-Methyl-3-hepten-2-one?
The molecular formula of (E)-6-Methyl-3-hepten-2-one is CC(C)CC=CC(=O)C.
What is the molecular weight of (E)-6-Methyl-3-hepten-2-one?
The molecular weight of (E)-6-Methyl-3-hepten-2-one is 126.10 g/mol.
Where can I buy (E)-6-Methyl-3-hepten-2-one?
You can request a quote for (E)-6-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 (E)-6-Methyl-3-hepten-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-Methyl-3-hepten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.