3-Butyl-3-octen-2-one
TL;DR: 3-Butyl-3-octen-2-one (CAS 32064-71-4) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyloct-3-en-2-one
Also Known As: 3-Butyloct-3-en-2-one, 3-Butyl-3-octen-2-one
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 32064-71-4 |
|---|---|
| SMILES | CCCCC=C(CCCC)C(=O)C |
| InChIKey | UAETWNBRKDGHSH-UHFFFAOYSA-N |
Product Overview
3-Butyl-3-octen-2-one (CAS 32064-71-4), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 3-butyloct-3-en-2-one.
Chemical Property Profile of 3-Butyl-3-octen-2-one
Property Insights of 3-Butyl-3-octen-2-one
The XLogP value of 4.2 indicates that 3-Butyl-3-octen-2-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, 3-Butyl-3-octen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-3-octen-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 3-Butyl-3-octen-2-one?
The CAS number of 3-Butyl-3-octen-2-one is 32064-71-4.
What is the molecular formula of 3-Butyl-3-octen-2-one?
The molecular formula of 3-Butyl-3-octen-2-one is C12H22O.
What is the molecular weight of 3-Butyl-3-octen-2-one?
The molecular weight of 3-Butyl-3-octen-2-one is 182.17 g/mol.
Where can I buy 3-Butyl-3-octen-2-one?
You can request a quote for 3-Butyl-3-octen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-3-octen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-3-octen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.