2-Pentyl-1-buten-3-one
TL;DR: 2-Pentyl-1-buten-3-one (CAS 63759-55-7) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylideneoctan-2-one
Also Known As: 3-methylideneoctan-2-one, 2-Pentyl-1-buten-3-one, 3-Methylene-2-octanone, 3-Methyleneoctan-2-one, 2-Octanone, 3-methylene-
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| Density | 0.808-0.814 |
| Solubility | insoluble in water; soluble in fats |
| Refractive Index | 1.437-1.442 |
Chemical Identifiers
| CAS Number | 63759-55-7 |
|---|---|
| SMILES | CCCCCC(=C)C(=O)C |
| InChIKey | VBZQKPYXKJXTHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentyl-1-buten-3-one (CAS 63759-55-7), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 3-methylideneoctan-2-one.
Chemical Property Profile of 2-Pentyl-1-buten-3-one
Property Insights of 2-Pentyl-1-buten-3-one
The XLogP value of 3.0 indicates that 2-Pentyl-1-buten-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Pentyl-1-buten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyl-1-buten-3-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 2-Pentyl-1-buten-3-one?
The CAS number of 2-Pentyl-1-buten-3-one is 63759-55-7.
What is the molecular formula of 2-Pentyl-1-buten-3-one?
The molecular formula of 2-Pentyl-1-buten-3-one is C9H16O.
What is the molecular weight of 2-Pentyl-1-buten-3-one?
The molecular weight of 2-Pentyl-1-buten-3-one is 140.12 g/mol.
Where can I buy 2-Pentyl-1-buten-3-one?
You can request a quote for 2-Pentyl-1-buten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyl-1-buten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyl-1-buten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.