Basic information
- CAS
31357-24-1- Standard SMILES
C/C=C/C=C/CC- InChIKey
XTJLXXCARCJVPJ-TWTPFVCWSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Overview
2,4-Heptadiene has been reported in Mangifera indica with data available.
Names & identifiers
- Preferred name
- 2,4-Heptadiene
- IUPAC
- (2E,4E)-hepta-2,4-diene
Names & synonyms
2,4-Heptadiene628-72-8(2E,4E)-hepta-2,4-dieneRefChem:10598092,4-Heptadiene, (E,E)-(E),(E)-CH3CH2CH=CHCH=CHCH331357-24-1NSC157586(E,E)-2,4-Heptadienetrans-2,trans-4-HeptadieneSCHEMBL217322SCHEMBL236127
Show more names
SCHEMBL1541957SCHEMBL2339469SCHEMBL3460477SCHEMBL3462181SCHEMBL6634753SCHEMBL6637088(2E,4E)-2,4-Heptadiene #XTJLXXCARCJVPJ-TWTPFVCWSA-N
Database identifiers
- CAS
31357-24-1、628-72-8- PubChem CID
- 5367544
- Nikkaji
- J144.948F、J95.484E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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