Basic information
- CAS
77212-96-5- Standard SMILES
CC(C)(C)CON=O- InChIKey
YIGAWISCEHGPRK-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Names & identifiers
- Preferred name
- Nitrous acid, 2,2-dimethylpropyl ester
- IUPAC
- 2,2-dimethylpropyl nitrite
Names & synonyms
2,2-dimethylpropyl nitriteNitrous acid, 2,2-dimethylpropyl ester77212-96-5neo-Pentyl nitriteSCHEMBL3679547DTXSID60335244YIGAWISCEHGPRK-UHFFFAOYSA-N
Database identifiers
- CAS
77212-96-5- PubChem CID
- 524014
- DTXSID
DTXSID60335244- Nikkaji
- J3.744.810I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 75
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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