Basic information
- CAS
56505-03-4- Standard SMILES
CC(C)=CCC/C(C)=C\COCCC#N- InChIKey
LHHLNYVTCLDRMJ-JYRVWZFOSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- 3-((3,7-Dimethyl-2,6-octadienyl)oxy)propiononitrile
- IUPAC
- 3-[(2Z)-3,7-dimethylocta-2,6-dienoxy]propanenitrile
Names & synonyms
EINECS 260-229-93-((3,7-Dimethyl-2,6-octadienyl)oxy)propiononitrile
Database identifiers
- CAS
56505-03-4- PubChem CID
- 6436614
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…