3-Methylhepta-1,4-diene
Basic information
- CAS
1603-01-6- Standard SMILES
C=CC(C)C=CCC- InChIKey
FBJNXQPYIFUANI-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- 3-Methylhepta-1,4-diene
- IUPAC
- 3-methylhepta-1,4-diene
Names & synonyms
3-methylhepta-1,4-dieneSCHEMBL192037SCHEMBL9380601DTXSID60862707
Database identifiers
- CAS
1603-01-6- PubChem CID
- 15342
- DTXSID
DTXSID60862707
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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