5-Hexadecyne
Basic information
- CAS
71899-37-1- Standard SMILES
CCCCC#CCCCCCCCCCC- InChIKey
QMIJSVFNLQOMAY-UHFFFAOYSA-N- Molecular formula
- C16H30
- Average molar mass
- 222.41 g/mol
- Monoisotopic mass
- 222.23475096
Names & identifiers
- Preferred name
- 5-Hexadecyne
- IUPAC
- hexadec-5-yne
- English name
- 5-Hexadecyne
- Molecular formula
- C16H30
- Molecular weight
- 222.41
Names & synonyms
5-Hexadecyne71899-37-1DTXSID20339566RefChem:303269DTXCID60290647QMIJSVFNLQOMAY-UHFFFAOYSA-Nhexadec-5-yneSCHEMBL5984198SCHEMBL9210902SCHEMBL9210913SCHEMBL11264016SCHEMBL17608683
Show more names
NS00096202
Database identifiers
- CAS
71899-37-1- PubChem CID
- 557015
- DTXSID
DTXSID20339566- Nikkaji
- J133.008J
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 17.51 °C · 17.51°C (estimate)
- Boiling point
- 283.61 °C · 283.61°C (estimate)
- Density
- 0.7974 · 0.7974 (estimate)
- refractive index
- 1.441 · 1.4410 (estimate)
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Related reactions
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Compound notes
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