Basic information
- CAS
101756-30-3- Standard SMILES
CCOC1OC(C)(C=C(C#N)C#N)CCC1C- InChIKey
IQUJVBXHKPNPIG-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- Malononitrile, (2,5-dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylene-
- IUPAC
- 2-[(6-ethoxy-2,5-dimethyloxan-2-yl)methylidene]propanedinitrile
Names & synonyms
(2,5-Dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylenemalononitrile101756-30-32,5-Dimethyl-6-ethoxy-tetrahydropyran-2-yl-methylenemalononitrileMALONONITRILE, (2,5-DIMETHYL-6-ETHOXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYLENE-RefChem:351859NSC663978CHEMBL1965643DTXSID409065922-((6-Ethoxy-2,5-dimethyltetrahydro-2H-pyran-2-yl)methylene)malononitrileNSC-663978NCI60_021998[(6-Ethoxy-2,5-dimethyloxan-2-yl)methylidene]propanedinitrile
Show more names
Propanedinitrile,5-dimethyltetrahydro- 2-pyranyl)methylene]-2-[(6-ethoxy-2,5-dimethyl-tetrahydropyran-2-yl)methylene]propanedinitrile
Database identifiers
- CAS
101756-30-3- PubChem CID
- 58848
- DTXSID
DTXSID40906592- ChEMBL
CHEMBL1965643- Nikkaji
- J147.629G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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