Basic information
- CAS
763-88-2- Standard SMILES
C=CCC=C(C)C- InChIKey
VSQLAQKFRFTMNS-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Names & identifiers
- Preferred name
- 1,4-Hexadiene, 5-methyl-
- IUPAC
- 5-methylhexa-1,4-diene
- English name
- 5-Methyl-1,4-hexadiene
- Molecular formula
- C7H12
- Molecular weight
- 96.17
Names & synonyms
5-Methyl-1,4-hexadiene763-88-21,4-Hexadiene, 5-methyl-CH2=CHCH2CH=C(CH3)2DTXSID00227174RefChem:220920DTXCID00149665VSQLAQKFRFTMNS-UHFFFAOYSA-N5-methylhexa-1,4-dieneSCHEMBL117779SCHEMBL2658066SCHEMBL4764305
Show more names
SCHEMBL5628345SCHEMBL6082975AKOS006274850
Database identifiers
- CAS
763-88-2- PubChem CID
- 69813
- DTXSID
DTXSID00227174- Nikkaji
- J102.041B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 74
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 91 · 91.0-92.5 °C
- Density
- 0.7258 g/cm3 · 0.7258 g/cm3
Chemistry & industry
Suppliers2 total
CHEMSAMPCO[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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