1,2-dimethoxyethane;2-methyl-2-nitropropane

C8H19NO4 — CID 174683857

IUPAC1,2-dimethoxyethane;2-methyl-2-nitropropane
SMILESCC(C)(C)[N+](=O)[O-].COCCOC
InChIInChI=1S/C4H9NO2.C4H10O2/c1-4(2,3)5(6)7;1-5-3-4-6-2/h1-3H3;3-4H2,1-2H3
InChIKeyUFFPDJUETROCSI-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.34
Rot. Bonds3

About 1,2-dimethoxyethane;2-methyl-2-nitropropane

1,2-dimethoxyethane;2-methyl-2-nitropropane (PubChem CID 174683857) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 1,2-dimethoxyethane;2-methyl-2-nitropropane.

Molecular Properties

Compound Name1,2-dimethoxyethane;2-methyl-2-nitropropane
PubChem CID174683857
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1,2-dimethoxyethane;2-methyl-2-nitropropane
SMILESCC(C)(C)[N+](=O)[O-].COCCOC
InChIInChI=1S/C4H9NO2.C4H10O2/c1-4(2,3)5(6)7;1-5-3-4-6-2/h1-3H3;3-4H2,1-2H3
InChIKeyUFFPDJUETROCSI-UHFFFAOYSA-N
XLogP1.34
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dibutoxy(oxo)azanium;2-methyl-2-nitropropane
CID 87328716
(2S)-1-methoxy-2,3-dimethyl-2,3-dinitrobutane
CID 92840251
1-(methoxymethoxy)-2-methyl-2-nitropropane
CID 21255699
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
1,2-dimethoxyethane;samarium
CID 174304250
1,2-dimethoxyethane;ethane
CID 91349162
2-nitropropan-2-yl dihydrogen phosphate
CID 174596835
1,3-dimethoxy-1-nitropropane
CID 87724431
6-methoxyhexyl nitrate
CID 25193534
dimethyl 4,5-dimethyl-4,5-dinitrooctanedioate
CID 12714361
1,2-dimethoxyethane;tetrachloromethane
CID 88843586
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;2-methyl-2-nitropropane?
The IUPAC name of 1,2-dimethoxyethane;2-methyl-2-nitropropane (CID 174683857) is 1,2-dimethoxyethane;2-methyl-2-nitropropane.
What is the SMILES notation for 1,2-dimethoxyethane;2-methyl-2-nitropropane?
The canonical SMILES for 1,2-dimethoxyethane;2-methyl-2-nitropropane is CC(C)(C)[N+](=O)[O-].COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;2-methyl-2-nitropropane?
The InChIKey is UFFPDJUETROCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C4H10O2/c1-4(2,3)5(6)7;1-5-3-4-6-2/h1-3H3;3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;2-methyl-2-nitropropane?
1,2-dimethoxyethane;2-methyl-2-nitropropane has a molecular weight of 193.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;2-methyl-2-nitropropane is sourced from PubChem (CID 174683857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).