dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium

C14H32NO5Si+ — CID 73388514

IUPACdimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium
SMILESCO[Si](CCC[N+](C)(C)CC(=O)OC(C)(C)C)(OC)OC
InChIInChI=1S/C14H32NO5Si/c1-14(2,3)20-13(16)12-15(4,5)10-9-11-21(17-6,18-7)19-8/h9-12H2,1-8H3/q+1
InChIKeyCVGLOEJXNOHVEY-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.67
Rot. Bonds9

About dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium

dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium (PubChem CID 73388514) has the molecular formula C14H32NO5Si+ and a molecular weight of 322.50 g/mol. Its IUPAC name is dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Namedimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium
PubChem CID73388514
Molecular FormulaC14H32NO5Si+
Molecular Weight322.50 g/mol
Exact Mass322.20
IUPAC Namedimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium
SMILESCO[Si](CCC[N+](C)(C)CC(=O)OC(C)(C)C)(OC)OC
InChIInChI=1S/C14H32NO5Si/c1-14(2,3)20-13(16)12-15(4,5)10-9-11-21(17-6,18-7)19-8/h9-12H2,1-8H3/q+1
InChIKeyCVGLOEJXNOHVEY-UHFFFAOYSA-N
XLogP1.67
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium?
The IUPAC name of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium (CID 73388514) is dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium is CO[Si](CCC[N+](C)(C)CC(=O)OC(C)(C)C)(OC)OC.
What is the InChIKey of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium?
The InChIKey is CVGLOEJXNOHVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO5Si/c1-14(2,3)20-13(16)12-15(4,5)10-9-11-21(17-6,18-7)19-8/h9-12H2,1-8H3/q+1.
What are the key properties of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium?
dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium has a molecular weight of 322.50 g/mol, XLogP of 1.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 73388514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).