1,6-Heptadiene, 4-phenyl-
Basic information
- CAS
13064-21-6- Standard SMILES
C=CCC(CC=C)c1ccccc1- InChIKey
HWGAVSSONJYSGW-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Names & identifiers
- Preferred name
- 1,6-Heptadiene, 4-phenyl-
- IUPAC
- hepta-1,6-dien-4-ylbenzene
Names & synonyms
1,6-HEPTADIENE, 4-PHENYL-13064-21-6RefChem:1053523Diallylphenylmethanealpha,alpha-Diallyltoluene4-Phenyl-1,6-heptadiene(hepta-1,6-dien-4-yl)benzeneSCHEMBL5080711SCHEMBL9003499DTXSID30926845
Database identifiers
- CAS
13064-21-6- PubChem CID
- 25663
- DTXSID
DTXSID30926845- Nikkaji
- J1.256.750B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…