2-Methyl-1,5-hexadien-3-yne
Basic information
- CAS
820-54-2- Standard SMILES
C=CC#CC(=C)C- InChIKey
JDIZEHGMNIBSPL-UHFFFAOYSA-N- Molecular formula
- C7H8
- Average molar mass
- 92.14 g/mol
- Monoisotopic mass
- 92.06260026
Names & identifiers
- Preferred name
- 2-Methyl-1,5-hexadien-3-yne
- IUPAC
- 2-methylhexa-1,5-dien-3-yne
- English name
- 2-Methyl-1,5-hexadien-3-yne
- Molecular formula
- C7H8
- Molecular weight
- 92.14
Names & synonyms
820-54-22-Methyl-1,5-hexadien-3-yneRefChem:1063628Methyl divinyl acetylene2-methylhexa-1,5-dien-3-yne2-Methyl-1,5-hexadiene-3-yne1,5-HEXADIEN-3-YNE, 2-METHYL-BRN 1734247vinylisopropenylacetylene4-01-00-01122 (Beilstein Handbook Reference)SCHEMBL11717826JDIZEHGMNIBSPL-UHFFFAOYSA-N
Show more names
DTXSID6010023702-Methyl-1,5-hexadien-3-yne #SY392127
Database identifiers
- CAS
820-54-2- PubChem CID
- 13176
- DTXSID
DTXSID601002370- Nikkaji
- J36.961F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 116.54 °C · 116.54°C (estimate)
- Density
- 0.8474 · 0.8474 (estimate)
- refractive index
- 1.4694 · 1.4694 (estimate)
Chemistry & industry
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Compound notes
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