Basic information
- CAS
71393-99-2- Standard SMILES
CCCCC#CCCCCCCCC/C=C/CCOC(C)=O- InChIKey
QSKLPKHRKLRZFM-WUKNDPDISA-N- Molecular formula
- C20H34O2
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.25588032
Names & identifiers
- Preferred name
- 3-Octadecen-13-yn-1-ol, 1-acetate, (3E)-
- IUPAC
- [(E)-octadec-3-en-13-ynyl] acetate
- English name
- (E)-3-Octadecen-13-yn-1-ol acetate
- Molecular formula
- C20H34O2
- Molecular weight
- 306.49
Names & synonyms
(E)-3-Octadecen-13-yn-1-ol acetate3-Octadecen-13-yn-1-ol, 1-acetate, (3E)-71393-99-23-Octadecen-13-yn-1-ol, acetate, (3E)-RefChem:95187(3E)-OCTADEC-3-EN-13-YN-1-YL ACETATEQSKLPKHRKLRZFM-WUKNDPDISA-NDTXSID401274549
Database identifiers
- CAS
71393-99-2- PubChem CID
- 6438020
- DTXSID
DTXSID401274549- Nikkaji
- J446.799J
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Octadecen-13-yn-1-ol, acetate, (3E)- (71393-99-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Octadecen-13-yn-1-ol, 1-acetate, (3E)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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