1-Decen-3-ol, 3-acetate
TL;DR: 1-Decen-3-ol, 3-acetate (CAS 56991-23-2) 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-1-en-3-yl acetate
Also Known As: 1-Vinyloctyl acetate, Decen-3-yl acetate, dec-1-en-3-yl acetate, 1-Decen-3-ol, 3-acetate, 1-Decen-3-ol, acetate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 56991-23-2 |
|---|---|
| SMILES | CCCCCCCC(C=C)OC(=O)C |
| InChIKey | WZHRMNRJRZTTCG-UHFFFAOYSA-N |
Product Overview
1-Decen-3-ol, 3-acetate (CAS 56991-23-2), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: dec-1-en-3-yl acetate.
Chemical Property Profile of 1-Decen-3-ol, 3-acetate
Property Insights of 1-Decen-3-ol, 3-acetate
The XLogP value of 4.2 indicates that 1-Decen-3-ol, 3-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, 1-Decen-3-ol, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Decen-3-ol, 3-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 1-Decen-3-ol, 3-acetate?
The CAS number of 1-Decen-3-ol, 3-acetate is 56991-23-2.
What is the molecular formula of 1-Decen-3-ol, 3-acetate?
The molecular formula of 1-Decen-3-ol, 3-acetate is C12H22O2.
What is the molecular weight of 1-Decen-3-ol, 3-acetate?
The molecular weight of 1-Decen-3-ol, 3-acetate is 198.16 g/mol.
Where can I buy 1-Decen-3-ol, 3-acetate?
You can request a quote for 1-Decen-3-ol, 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Decen-3-ol, 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Decen-3-ol, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.