1,3,5-Hexatriene, 2-methyl-, (E)-
Basic information
- CAS
41233-72-1- Standard SMILES
C=C/C=C/C(=C)C- InChIKey
PPWGXYXJMQAWSX-AATRIKPKSA-N- Molecular formula
- C7H10
- Average molar mass
- 94.15 g/mol
- Monoisotopic mass
- 94.07825032
Names & identifiers
- Preferred name
- 1,3,5-Hexatriene, 2-methyl-, (E)-
- IUPAC
- (3E)-2-methylhexa-1,3,5-triene
Names & synonyms
1,3,5-Hexatriene, 2-methyl-, (E)-41233-72-1RefChem:10525602-Methyl-1,3,5-hexatriene1,3,5-Hexatriene, 2-methyl-(3E)-2-methylhexa-1,3,5-trieneSCHEMBL1000736SCHEMBL10399030SCHEMBL10400472PPWGXYXJMQAWSX-AATRIKPKSA-Ntrans-2-methyl-1,3,5-hexatriene(3E)-2-methyl-hexa-1,3,5-triene
Show more names
(3E)-2-Methyl-1,3,5-hexatriene #
Database identifiers
- CAS
41233-72-1- PubChem CID
- 5367392
- Nikkaji
- J125.203H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 96.6
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Related reactions
0 records
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Compound notes
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