Basic information
- CAS
28823-41-8- Standard SMILES
CC=CC=C(C)C- InChIKey
PRTJSZPCEHPORP-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Overview
2-methylhexa-2,4-diene has been reported in Achillea filipendulina with data available.
Names & identifiers
- Preferred name
- 2-Methylhexa-2,4-diene
- IUPAC
- 2-methylhexa-2,4-diene
- English name
- 2-methyl-2,4-hexadien
- Molecular formula
- C7H12
- Molecular weight
- 96.17
Names & synonyms
2-Methylhexa-2,4-diene28823-41-8DTXSID30871361RefChem:263850DTXCID80819031SCHEMBL135481SCHEMBL3460692SCHEMBL3460930SCHEMBL4638740SCHEMBL8866539SCHEMBL8874605SCHEMBL10400165
Show more names
SCHEMBL104001662-METHYL-2,4-HEXADIEN1,1,4-trimethyl-1,3-butadieneDB-240276
Database identifiers
- CAS
28823-41-8- PubChem CID
- 520396
- DTXSID
DTXSID30871361
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
- 82.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -74.2 °C · -74.2°C
- Boiling point
- 121.55 °C · 121.55°C
- Density
- 0.7411 · 0.7411
- refractive index
- 1.4349 · 1.4349 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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