2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile
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Basic information
- CAS
16738-90-2- Standard SMILES
CCCCCC1(C)CC1(C#N)C#N- InChIKey
PFEVXHRLKFTYKG-UHFFFAOYSA-N- Molecular formula
- C11H16N2
- Average molar mass
- 176.26 g/mol
- Monoisotopic mass
- 176.13134852
Names & identifiers
- Preferred name
- 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile
- IUPAC
- 2-methyl-2-pentylcyclopropane-1,1-dicarbonitrile
- English name
- 2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile
- Molecular formula
- C11H16N2
- Molecular weight
- 176.26
Names & synonyms
2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile16738-90-2DTXSID90337771RefChem:263143DTXCID702888582-methyl-2-pentylcyclopropane-1,1-dicarbonitrile1,1-Cyclopropanedicarbonitrile, 2-methyl-2-pentyl-PFEVXHRLKFTYKG-UHFFFAOYSA-N2-Methyl-2-pentyl-1,1-cyclopropanedicarbonitrile #
Database identifiers
- CAS
16738-90-2- PubChem CID
- 544601
- DTXSID
DTXSID90337771- Nikkaji
- J102.541D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 308.7 · 308.7±25.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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