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

C14H32BrNO5Si — CID 73388513

IUPACdimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide
SMILESCO[Si](CCC[N+](C)(C)CC(=O)OC(C)(C)C)(OC)OC.[Br-]
InChIInChI=1S/C14H32NO5Si.BrH/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;1H/q+1;/p-1
InChIKeySFLIPZWPVUGJTF-UHFFFAOYSA-M
MW402.40 g/mol
LogP-1.32
Rot. Bonds9

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

dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide (PubChem CID 73388513) has the molecular formula C14H32BrNO5Si and a molecular weight of 402.40 g/mol. Its IUPAC name is dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide.

Molecular Properties

Compound Namedimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide
PubChem CID73388513
Molecular FormulaC14H32BrNO5Si
Molecular Weight402.40 g/mol
Exact Mass401.12
IUPAC Namedimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide
SMILESCO[Si](CCC[N+](C)(C)CC(=O)OC(C)(C)C)(OC)OC.[Br-]
InChIInChI=1S/C14H32NO5Si.BrH/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;1H/q+1;/p-1
InChIKeySFLIPZWPVUGJTF-UHFFFAOYSA-M
XLogP-1.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 5-1.32
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 bromide?
The IUPAC name of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide (CID 73388513) is dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide.
What is the SMILES notation for dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide?
The canonical SMILES for dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide is CO[Si](CCC[N+](C)(C)CC(=O)OC(C)(C)C)(OC)OC.[Br-].
What is the InChIKey of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide?
The InChIKey is SFLIPZWPVUGJTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H32NO5Si.BrH/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;1H/q+1;/p-1.
What are the key properties of dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide?
dimethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(3-trimethoxysilylpropyl)azanium bromide has a molecular weight of 402.40 g/mol, XLogP of -1.32, 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 bromide is sourced from PubChem (CID 73388513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).