7-Methyl-3-octen-2-one, (3E)-
TL;DR: 7-Methyl-3-octen-2-one, (3E)- (CAS 1004754-77-1) is a chemical compound with molecular formula C9H16O and molecular weight 140.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-7-methyloct-3-en-2-one
Also Known As: 7-METHYL-3-OCTEN-2-ONE, 7-Methyloct-3-en-2-one, 3-Octen-2-one, 7-methyl-, Fema No. 3868, (E)-7-methyloct-3-en-2-one
Technical Specifications
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12012 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.12012 Da |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
| SMILES | CC(C)CC/C=C/C(=O)C |
| InChIKey | QFSMRIFNMXHJQK-FNORWQNLSA-N |
Chemical Property Profile of 7-Methyl-3-octen-2-one, (3E)-
Property Insights of 7-Methyl-3-octen-2-one, (3E)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-3-octen-2-one, (3E)-. With a topological polar surface area (TPSA) of 17.1 Ų, 7-Methyl-3-octen-2-one, (3E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-3-octen-2-one, (3E)- 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
What is the CAS number of 7-Methyl-3-octen-2-one, (3E)-?
The CAS number of 7-Methyl-3-octen-2-one, (3E)- is 1004754-77-1.
What is the molecular formula of 7-Methyl-3-octen-2-one, (3E)-?
The molecular formula of 7-Methyl-3-octen-2-one, (3E)- is C9H16O.
What is the molecular weight of 7-Methyl-3-octen-2-one, (3E)-?
The molecular weight of 7-Methyl-3-octen-2-one, (3E)- is 140.12012 g/mol.
Where can I buy 7-Methyl-3-octen-2-one, (3E)-?
You can request a quote for 7-Methyl-3-octen-2-one, (3E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Methyl-3-octen-2-one, (3E)-?
Yes, CoreyChem provides custom synthesis services for 7-Methyl-3-octen-2-one, (3E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.