5-Methyl-5-nitrohexan-2-ol
Basic information
- CAS
7251-87-8- Standard SMILES
CC(O)CCC(C)(C)[N+](=O)[O-]- InChIKey
JHAZSFLGWSANGV-UHFFFAOYSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- 5-Methyl-5-nitrohexan-2-ol
- IUPAC
- 5-methyl-5-nitrohexan-2-ol
- English name
- 5-methyl-5-nitro-hexan-2-ol
- Molecular formula
- C7H15NO3
- Molecular weight
- 0
Names & synonyms
7251-87-85-methyl-5-nitrohexan-2-olNSC20680SCHEMBL31059512DTXSID70281182NSC-206805-methyl-5-nitro-hexan-2-ol
Database identifiers
- CAS
7251-87-8- PubChem CID
- 228076
- DTXSID
DTXSID70281182
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
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Related reactions
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Compound notes
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