Basic information
- CAS
73747-72-5- Standard SMILES
N#CC(C#N)=C1C2(CCCCC2)C(=O)C12CCCCC2- InChIKey
VDVXLSHFEKMQNX-UHFFFAOYSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756327
Names & identifiers
- Preferred name
- Malononitrile, (7-oxo-14-dispiro(5.1.5.1)tetradecanylidene)-
- IUPAC
- 2-(14-oxodispiro[5.1.58.16]tetradecan-7-ylidene)propanedinitrile
Names & synonyms
73747-72-514-Dicyanomethylenedispiro(5.1.5.1)tetradecan-7-oneMALONONITRILE, (7-OXO-14-DISPIRO(5.1.5.1)TETRADECANYLIDENE)-(7-Oxo-14-dispiro(5.1.5.1)tetradecanylidene)malononitrileDTXSID90224096RefChem:351879DTXCID90146587(14-Oxodispiro[5.1.5~8~.1~6~]tetradecan-7-ylidene)propanedinitrile
Database identifiers
- CAS
73747-72-5- PubChem CID
- 52389
- DTXSID
DTXSID90224096- Nikkaji
- J147.649A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…