Basic information
- CAS
1603-01-6- Standard SMILES
C=CC(C)/C=C/CC- InChIKey
FBJNXQPYIFUANI-VOTSOKGWSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- 1,4-Heptadiene, 3-methyl-
- IUPAC
- (4E)-3-methylhepta-1,4-diene
Names & synonyms
1,4-Heptadiene, 3-methyl-1603-01-6RefChem:10533313-METHYL-1,4-HEPTADIENE(4E)-3-methylhepta-1,4-diene3-methyl-1,4-heptadiene,SCHEMBL192036SCHEMBL11163795FBJNXQPYIFUANI-VOTSOKGWSA-N(4E)-3-Methyl-1,4-heptadieneDTXSID901364454(4E)-3-Methyl-1,4-heptadiene #
Show more names
NS00121239302587-78-6
Database identifiers
- CAS
1603-01-6、302587-78-6- PubChem CID
- 5367580
- DTXSID
DTXSID901364454- Nikkaji
- J110.378D
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
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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