Basic information
- CAS
629-75-4- Standard SMILES
CC#CCCCCCCCCCCCCC- InChIKey
QYOCOJVJMRFVPG-UHFFFAOYSA-N- Molecular formula
- C16H30
- Average molar mass
- 222.41 g/mol
- Monoisotopic mass
- 222.23475096
Names & identifiers
- Preferred name
- 2-Hexadecyne
- IUPAC
- hexadec-2-yne
- English name
- 2-Hexadecyne.
- Molecular formula
- C16H30
- Molecular weight
- 222.4094
Names & synonyms
2-HEXADECYNEhexadec-2-yne629-75-4SCHEMBL513133SCHEMBL3248000SCHEMBL5166822SCHEMBL5985780SCHEMBL9522085DTXSID005542502-Hexadecyne.
Database identifiers
- CAS
629-75-4- PubChem CID
- 14009124
- DTXSID
DTXSID00554250- Nikkaji
- J95.425J
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 20 °C · 20°C
- Boiling point
- 283.61 °C · 283.61°C (estimate)
- Density
- 0.8039 · 0.8039
- refractive index
- 1.4426 · 1.4426 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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