Basic information
- CAS
62103-12-2- Standard SMILES
CCCCC#CCCC#CCCCCCCOC(C)=O- InChIKey
OJBBVRWULKDROR-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893014
Names & identifiers
- Preferred name
- 7,11-Hexadecadiyn-1-ol, 1-acetate
- IUPAC
- hexadeca-7,11-diynyl acetate
- English name
- hexadeca-7,11-diynyl acetate
- Molecular formula
- C18H28O2
- Molecular weight
- 276.41
Names & synonyms
7,11-Hexadecadiyn-1-ol acetate62103-12-27,11-Hexadecadiyn-1-ol, acetate7,11-Hexadecadiyn-1-ol, 1-acetateEINECS 263-404-8DTXSID70886474RefChem:105447DTXCID201025798Hexadeca-7,11-diynyl acetateHEXADECA-7,11-DIYN-1-YL ACETATE7,11-hexadecadiynyl acetateSCHEMBL11857076
Show more names
DB-220761NS00055328
Database identifiers
- CAS
62103-12-2- PubChem CID
- 112805
- DTXSID
DTXSID70886474- EC Number
- 263-404-8
- Nikkaji
- J306.983D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 377.8 · 377.8±27.0 °C(Predicted)
- Density
- 0.934 · 0.934±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 7 · 7,11-Hexadecadiyn-1-ol, acetate (62103-12-2)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7,11-Hexadecadiyn-1-ol, 1-acetate: INACTIVE
Related reactions
2 records
Compound notes
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