(E)-2-(3-Methylbutylidene)cyclohexanone
TL;DR: (E)-2-(3-Methylbutylidene)cyclohexanone (CAS 1356397-45-9) is a chemical compound with molecular formula C11H18O and molecular weight 166.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-(3-methylbutylidene)cyclohexan-1-one
Also Known As: (E)-2-(3-Methylbutylidene)cyclohexanone, (2E)-2-(3-methylbutylidene)cyclohexan-1-one, J3.342.525B
Technical Specifications
| Molecular Formula | C11H18O |
| Molecular Weight | 166.13577 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.13577 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | CC(C)C/C=C/1\CCCCC1=O |
| InChIKey | PNYNTSNMZRSAEP-CSKARUKUSA-N |
Chemical Property Profile of (E)-2-(3-Methylbutylidene)cyclohexanone
Property Insights of (E)-2-(3-Methylbutylidene)cyclohexanone
The XLogP value of 3.0 indicates that (E)-2-(3-Methylbutylidene)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (E)-2-(3-Methylbutylidene)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(3-Methylbutylidene)cyclohexanone 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 (E)-2-(3-Methylbutylidene)cyclohexanone?
The CAS number of (E)-2-(3-Methylbutylidene)cyclohexanone is 1356397-45-9.
What is the molecular formula of (E)-2-(3-Methylbutylidene)cyclohexanone?
The molecular formula of (E)-2-(3-Methylbutylidene)cyclohexanone is C11H18O.
What is the molecular weight of (E)-2-(3-Methylbutylidene)cyclohexanone?
The molecular weight of (E)-2-(3-Methylbutylidene)cyclohexanone is 166.13577 g/mol.
Where can I buy (E)-2-(3-Methylbutylidene)cyclohexanone?
You can request a quote for (E)-2-(3-Methylbutylidene)cyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-(3-Methylbutylidene)cyclohexanone?
Yes, CoreyChem provides custom synthesis services for (E)-2-(3-Methylbutylidene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.