Methyl 2,4-dimethyl-4-nitropentanoate
Basic information
- CAS
5762-40-3- Standard SMILES
COC(=O)C(C)CC(C)(C)[N+](=O)[O-]- InChIKey
FIXGUDASGASFSO-UHFFFAOYSA-N- Molecular formula
- C8H15NO4
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.10010796
Names & identifiers
- Preferred name
- Methyl 2,4-dimethyl-4-nitropentanoate
- IUPAC
- methyl 2,4-dimethyl-4-nitropentanoate
- English name
- 2,4-Dimethyl-4-nitrovaleric acid methyl ester
- Molecular formula
- C8H15NO4
- Molecular weight
- 189.21
Names & synonyms
Methyl 2,4-dimethyl-4-nitropentanoate5762-40-3DTXSID40289776RefChem:353660DTXCID80240922METHYL 2,4-DIMETHYL-4-NITRO-PENTANOATE2,4-Dimethyl-4-nitrovaleric acid methyl ester2,4-Dimethyl-4-nitro-methyl Ester Valeric AcidNSC63876Valeric acid Impurity 4NCIOpen2_000293Pentanoic acid, 2,4-dimethyl-4-nitro-, methyl ester
Show more names
EOS-618112,4-Dimethyl-4-nitrovaleric acid metmethyl2,4-dimethyl-4-nitropentanoate
SCHEMBL17647338MFCD34561939NSC-63876Methyl 2,4-dimethyl-4-nitropentanoate #SY337805WS-01916DB-096199E74200
Database identifiers
- CAS
5762-40-3- PubChem CID
- 247983
- DTXSID
DTXSID40289776- Nikkaji
- J141.088A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- solubility
- 2 Cl2, · EtOH, EtOAc, CH2Cl2, CHCl3, DMSO, MeOH
- form
- Oil
- color
- Yellow
Chemistry & industry
Upstream & downstream products
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Related reactions
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Compound notes
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