(dimethoxyamino)oxymethane;hydrate

C3H11NO4 — CID 172688936

IUPAC(dimethoxyamino)oxymethane;hydrate
SMILESCON(OC)OC.O
InChIInChI=1S/C3H9NO3.H2O/c1-5-4(6-2)7-3;/h1-3H3;1H2
InChIKeyBKHHUCRRYMBCFJ-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.85
Rot. Bonds3

About (dimethoxyamino)oxymethane;hydrate

(dimethoxyamino)oxymethane;hydrate (PubChem CID 172688936) has the molecular formula C3H11NO4 and a molecular weight of 125.12 g/mol. Its IUPAC name is (dimethoxyamino)oxymethane;hydrate.

Molecular Properties

Compound Name(dimethoxyamino)oxymethane;hydrate
PubChem CID172688936
Molecular FormulaC3H11NO4
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name(dimethoxyamino)oxymethane;hydrate
SMILESCON(OC)OC.O
InChIInChI=1S/C3H9NO3.H2O/c1-5-4(6-2)7-3;/h1-3H3;1H2
InChIKeyBKHHUCRRYMBCFJ-UHFFFAOYSA-N
XLogP-0.85
TPSA62.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Dimethoxyamino)oxymethane
CID 14951678
Tetramethoxyazanium hydroxide
CID 18504548
Tetramethoxyazanium
CID 18504549
N,N-dimethoxyhydroxylamine
CID 85667580
N,N-dimethoxyhydroxylamine;hydrochloride
CID 87522876
N-(dimethoxyamino)-N-methoxyhydroxylamine
CID 151325696
Dihydroxy(dimethoxy)azanium
CID 157527018
Hydroxy(trimethoxy)azanium
CID 159204913
CID 163438639
CID 163438639
Iodooxy(trimethoxy)azanium
CID 163662182
(Hydroxy-methoxy-oxidoazaniumyl)oxymethane
CID 163691529
N,N-dimethoxyhydroxylamine;uranium;hydrate
CID 164024988

Frequently Asked Questions

What is the IUPAC name of (dimethoxyamino)oxymethane;hydrate?
The IUPAC name of (dimethoxyamino)oxymethane;hydrate (CID 172688936) is (dimethoxyamino)oxymethane;hydrate.
What is the SMILES notation for (dimethoxyamino)oxymethane;hydrate?
The canonical SMILES for (dimethoxyamino)oxymethane;hydrate is CON(OC)OC.O.
What is the InChIKey of (dimethoxyamino)oxymethane;hydrate?
The InChIKey is BKHHUCRRYMBCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3.H2O/c1-5-4(6-2)7-3;/h1-3H3;1H2.
What are the key properties of (dimethoxyamino)oxymethane;hydrate?
(dimethoxyamino)oxymethane;hydrate has a molecular weight of 125.12 g/mol, XLogP of -0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethoxyamino)oxymethane;hydrate is sourced from PubChem (CID 172688936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).