1-(methoxymethoxy)-2-methyl-2-nitropropane

C6H13NO4 — CID 21255699

IUPAC1-(methoxymethoxy)-2-methyl-2-nitropropane
SMILESCOCOCC(C)(C)[N+](=O)[O-]
InChIInChI=1S/C6H13NO4/c1-6(2,7(8)9)4-11-5-10-3/h4-5H2,1-3H3
InChIKeyNCINRUXWQZQVNZ-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.66
Rot. Bonds5

About 1-(methoxymethoxy)-2-methyl-2-nitropropane

1-(methoxymethoxy)-2-methyl-2-nitropropane (PubChem CID 21255699) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(methoxymethoxy)-2-methyl-2-nitropropane.

Molecular Properties

Compound Name1-(methoxymethoxy)-2-methyl-2-nitropropane
PubChem CID21255699
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(methoxymethoxy)-2-methyl-2-nitropropane
SMILESCOCOCC(C)(C)[N+](=O)[O-]
InChIInChI=1S/C6H13NO4/c1-6(2,7(8)9)4-11-5-10-3/h4-5H2,1-3H3
InChIKeyNCINRUXWQZQVNZ-UHFFFAOYSA-N
XLogP0.66
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-2-methyl-2-nitropropane?
The IUPAC name of 1-(methoxymethoxy)-2-methyl-2-nitropropane (CID 21255699) is 1-(methoxymethoxy)-2-methyl-2-nitropropane.
What is the SMILES notation for 1-(methoxymethoxy)-2-methyl-2-nitropropane?
The canonical SMILES for 1-(methoxymethoxy)-2-methyl-2-nitropropane is COCOCC(C)(C)[N+](=O)[O-].
What is the InChIKey of 1-(methoxymethoxy)-2-methyl-2-nitropropane?
The InChIKey is NCINRUXWQZQVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-6(2,7(8)9)4-11-5-10-3/h4-5H2,1-3H3.
What are the key properties of 1-(methoxymethoxy)-2-methyl-2-nitropropane?
1-(methoxymethoxy)-2-methyl-2-nitropropane has a molecular weight of 163.17 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-2-methyl-2-nitropropane is sourced from PubChem (CID 21255699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).