methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium

C9H20NO3+ — CID 163966906

IUPACmethoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium
SMILESCO[N+](C)(C)COC(C)(C)CC=O
InChIInChI=1S/C9H20NO3/c1-9(2,6-7-11)13-8-10(3,4)12-5/h7H,6,8H2,1-5H3/q+1
InChIKeyPVJBBYWZGLSVBP-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.97
Rot. Bonds6

About methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium

methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium (PubChem CID 163966906) has the molecular formula C9H20NO3+ and a molecular weight of 190.26 g/mol. Its IUPAC name is methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium.

Molecular Properties

Compound Namemethoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium
PubChem CID163966906
Molecular FormulaC9H20NO3+
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Namemethoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium
SMILESCO[N+](C)(C)COC(C)(C)CC=O
InChIInChI=1S/C9H20NO3/c1-9(2,6-7-11)13-8-10(3,4)12-5/h7H,6,8H2,1-5H3/q+1
InChIKeyPVJBBYWZGLSVBP-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium?
The IUPAC name of methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium (CID 163966906) is methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium.
What is the SMILES notation for methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium?
The canonical SMILES for methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium is CO[N+](C)(C)COC(C)(C)CC=O.
What is the InChIKey of methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium?
The InChIKey is PVJBBYWZGLSVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3/c1-9(2,6-7-11)13-8-10(3,4)12-5/h7H,6,8H2,1-5H3/q+1.
What are the key properties of methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium?
methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium has a molecular weight of 190.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dimethyl-[(2-methyl-4-oxobutan-2-yl)oxymethyl]azanium is sourced from PubChem (CID 163966906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).