acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium

C7H14N2O4 — CID 89433534

IUPACacetyloxymethoxymethyl-oxido-propan-2-yliminoazanium
SMILESCC(=O)OCOC/[N+]([O-])=N/C(C)C
InChIInChI=1S/C7H14N2O4/c1-6(2)8-9(11)4-12-5-13-7(3)10/h6H,4-5H2,1-3H3/b9-8-
InChIKeyAQRHSHCJUOXRFX-HJWRWDBZSA-N
MW190.20 g/mol
LogP0.85
Rot. Bonds5

About acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium

acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium (PubChem CID 89433534) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium.

Molecular Properties

Compound Nameacetyloxymethoxymethyl-oxido-propan-2-yliminoazanium
PubChem CID89433534
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Nameacetyloxymethoxymethyl-oxido-propan-2-yliminoazanium
SMILESCC(=O)OCOC/[N+]([O-])=N/C(C)C
InChIInChI=1S/C7H14N2O4/c1-6(2)8-9(11)4-12-5-13-7(3)10/h6H,4-5H2,1-3H3/b9-8-
InChIKeyAQRHSHCJUOXRFX-HJWRWDBZSA-N
XLogP0.85
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetyloxymethyl acetate;azane
CID 172795061
hydroxymethoxymethoxymethyl acetate
CID 23591688
acetic acid;acetyloxymethyl acetate
CID 175421869
(2-acetyloxy-1,1,2,2-tetradeuterioethoxy)methyl acetate
CID 45040162
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
2,3-di(propan-2-yloxy)propoxymethyl acetate
CID 19748423
acetyloxymethylimino-methyl-oxidoazanium
CID 11606
[3-(acetyloxymethoxy)-2,2-dimethylpropyl] acetate
CID 13356615
bis(acetyloxymethyl) propanedioate
CID 59124845
ethyl acetate;bis(propan-2-ol)
CID 87186921
potassium 3,3-dinitropropyl acetate
CID 23314305
4-(acetyloxymethoxy)butanoic acid
CID 90487624

Frequently Asked Questions

What is the IUPAC name of acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium?
The IUPAC name of acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium (CID 89433534) is acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium.
What is the SMILES notation for acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium?
The canonical SMILES for acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium is CC(=O)OCOC/[N+]([O-])=N/C(C)C.
What is the InChIKey of acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium?
The InChIKey is AQRHSHCJUOXRFX-HJWRWDBZSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-6(2)8-9(11)4-12-5-13-7(3)10/h6H,4-5H2,1-3H3/b9-8-.
What are the key properties of acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium?
acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium has a molecular weight of 190.20 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium is sourced from PubChem (CID 89433534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).