1,6-Heptadiene, 2-methyl-6-phenyl-
Basic information
- CAS
51708-97-5- Standard SMILES
C=C(C)CCCC(=C)c1ccccc1- InChIKey
ILKCXYUULZTOEX-UHFFFAOYSA-N- Molecular formula
- C14H18
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.14085057
Names & identifiers
- Preferred name
- 1,6-Heptadiene, 2-methyl-6-phenyl-
- IUPAC
- 6-methylhepta-1,6-dien-2-ylbenzene
Names & synonyms
1,6-Heptadiene, 2-methyl-6-phenyl-DTXSID1088065851708-97-5RefChem:221574DTXCID201022025ILKCXYUULZTOEX-UHFFFAOYSA-N(6-Methylhepta-1,6-dien-2-yl)benzene(5-Methyl-1-methylene-5-hexenyl)benzene #NS00095955
Database identifiers
- CAS
51708-97-5- PubChem CID
- 576233
- DTXSID
DTXSID10880658
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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