4-Methylhepta-1,3-diene
Basic information
- CAS
17603-57-5- Standard SMILES
C=CC=C(C)CCC- InChIKey
AHWGKLXMXHPYBI-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- 4-Methylhepta-1,3-diene
- IUPAC
- 4-methylhepta-1,3-diene
Names & synonyms
SCHEMBL3638444SCHEMBL5894775DTXSID001367201
Database identifiers
- CAS
17603-57-5- PubChem CID
- 140253
- DTXSID
DTXSID001367201
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.2
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Compound notes
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