3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one

C10H19NO4 — CID 170257893

IUPAC3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one
SMILESCC(=O)C(C)(C)ONOC(C)(C)C(C)=O
InChIInChI=1S/C10H19NO4/c1-7(12)9(3,4)14-11-15-10(5,6)8(2)13/h11H,1-6H3
InChIKeyLIZATRDKQLTPMM-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.17
Rot. Bonds6

About 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one

3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one (PubChem CID 170257893) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one.

Molecular Properties

Compound Name3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one
PubChem CID170257893
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one
SMILESCC(=O)C(C)(C)ONOC(C)(C)C(C)=O
InChIInChI=1S/C10H19NO4/c1-7(12)9(3,4)14-11-15-10(5,6)8(2)13/h11H,1-6H3
InChIKeyLIZATRDKQLTPMM-UHFFFAOYSA-N
XLogP1.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylaminooxy)-3-methylbutan-2-one
CID 90967748
3,3-dimethylbutan-2-one;2-methoxy-3-methylbut-2-ene
CID 160868993
3-methyl-3-[3-(methyldisulfanyl)propoxy]butan-2-one
CID 134600084
CID 58312499
CID 58312499
3-amino-3-methylbutan-2-one
CID 4913006
3,4-dihydroxy-3,4-dimethylhexane-2,5-dione
CID 538401
3-methoxy-3,4-dimethylpentan-2-one
CID 83225040
methyl 2-acetyl-2-hydroxy-3-oxobutanoate
CID 59771908
2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate
CID 161359364
3-hydroxy-3-(methylamino)butan-2-one
CID 59918462
4-amino-3,3,4-trimethylpentan-2-one;hydrochloride
CID 162335722
2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid
CID 23550683

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one?
The IUPAC name of 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one (CID 170257893) is 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one.
What is the SMILES notation for 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one?
The canonical SMILES for 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one is CC(=O)C(C)(C)ONOC(C)(C)C(C)=O.
What is the InChIKey of 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one?
The InChIKey is LIZATRDKQLTPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(12)9(3,4)14-11-15-10(5,6)8(2)13/h11H,1-6H3.
What are the key properties of 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one?
3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one has a molecular weight of 217.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one is sourced from PubChem (CID 170257893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).