9-Decenyl acetate
TL;DR: 9-Decenyl acetate (CAS 50816-18-7) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dec-9-enyl acetate
Also Known As: 9-Decenyl acetate, Decenyl acetate, 9-Decen-1-yl acetate, 9-Decen-1-ol, acetate, dec-9-enyl acetate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 50816-18-7 |
|---|---|
| SMILES | CC(=O)OCCCCCCCCC=C |
| InChIKey | PIQXMYAEJSMANF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Decenyl acetate (CAS 50816-18-7), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: dec-9-enyl acetate.
Chemical Property Profile of 9-Decenyl acetate
Property Insights of 9-Decenyl acetate
The XLogP value of 4.0 indicates that 9-Decenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 9-Decenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Decenyl acetate has 0 hydrogen bond donor(s) and 2 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 9-Decenyl acetate?
The CAS number of 9-Decenyl acetate is 50816-18-7.
What is the molecular formula of 9-Decenyl acetate?
The molecular formula of 9-Decenyl acetate is C12H22O2.
What is the molecular weight of 9-Decenyl acetate?
The molecular weight of 9-Decenyl acetate is 198.16 g/mol.
Where can I buy 9-Decenyl acetate?
You can request a quote for 9-Decenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Decenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Decenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.