O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine

C7H17NO4 — CID 144742456

IUPACO-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine
SMILESCOCC(COC)(CON)OC
InChIInChI=1S/C7H17NO4/c1-9-4-7(11-3,5-10-2)6-12-8/h4-6,8H2,1-3H3
InChIKeyOJIHIHSMEXXPOE-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.45
Rot. Bonds7

About O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine

O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine (PubChem CID 144742456) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine
PubChem CID144742456
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC NameO-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine
SMILESCOCC(COC)(CON)OC
InChIInChI=1S/C7H17NO4/c1-9-4-7(11-3,5-10-2)6-12-8/h4-6,8H2,1-3H3
InChIKeyOJIHIHSMEXXPOE-UHFFFAOYSA-N
XLogP-0.45
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.45
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

4-methoxy-4-(methoxymethyl)heptane
CID 174395749
1,1,2-trimethoxyethanamine
CID 54365567
CID 173405107
CID 173405107
1-methoxy-2,2-dimethylpropane
CID 160639316
2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
CID 88790067
2,2-dichloro-1,3-dimethoxypropane
CID 19985363
3-methoxy-3-(methoxymethyl)-2,4-dimethylpentane
CID 23384967
1,1,2-trimethoxyethoxysilane
CID 173008155
(2R)-3-methoxy-2-methylpropane-1,2-diamine
CID 94474940
1-aminooxy-2,3,3-trimethylbutan-2-ol
CID 105429081
4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine
CID 150181765
magnesium;1-methoxy-2,2-dimethylpropane;dichloride
CID 175512317

Frequently Asked Questions

What is the IUPAC name of O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine?
The IUPAC name of O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine (CID 144742456) is O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine.
What is the SMILES notation for O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine?
The canonical SMILES for O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine is COCC(COC)(CON)OC.
What is the InChIKey of O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine?
The InChIKey is OJIHIHSMEXXPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4/c1-9-4-7(11-3,5-10-2)6-12-8/h4-6,8H2,1-3H3.
What are the key properties of O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine?
O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of -0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2,3-dimethoxy-2-(methoxymethyl)propyl]hydroxylamine is sourced from PubChem (CID 144742456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).