[dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium

C17H46N3O5Si+3 — CID 157449169

IUPAC[dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium
SMILESC.C.C[N+](C)(C)C(O)=[Si](O)O.C[N+](C)(C)CC1CO1.C[N+]1(C)CC(O)C1
InChIInChI=1S/C6H14NO.C5H12NO.C4H11NO3Si.2CH4/c1-7(2,3)4-6-5-8-6;1-6(2)3-5(7)4-6;1-5(2,3)4(6)9(7)8;;/h6H,4-5H2,1-3H3;5,7H,3-4H2,1-2H3;7-8H,1-3H3;2*1H4/q2*+1;;;/p+1
InChIKeyPWGLJOYDDJHZGI-UHFFFAOYSA-O
MW400.66 g/mol
LogP-0.99
Rot. Bonds3

About [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium

[dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium (PubChem CID 157449169) has the molecular formula C17H46N3O5Si+3 and a molecular weight of 400.66 g/mol. Its IUPAC name is [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium.

Molecular Properties

Compound Name[dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium
PubChem CID157449169
Molecular FormulaC17H46N3O5Si+3
Molecular Weight400.66 g/mol
Exact Mass400.32
IUPAC Name[dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium
SMILESC.C.C[N+](C)(C)C(O)=[Si](O)O.C[N+](C)(C)CC1CO1.C[N+]1(C)CC(O)C1
InChIInChI=1S/C6H14NO.C5H12NO.C4H11NO3Si.2CH4/c1-7(2,3)4-6-5-8-6;1-6(2)3-5(7)4-6;1-5(2,3)4(6)9(7)8;;/h6H,4-5H2,1-3H3;5,7H,3-4H2,1-2H3;7-8H,1-3H3;2*1H4/q2*+1;;;/p+1
InChIKeyPWGLJOYDDJHZGI-UHFFFAOYSA-O
XLogP-0.99
TPSA93.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.66
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(oxiran-2-ylmethyl)azanium;hydrate
CID 174817905
propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride
CID 175186062
trimethyl-[[(2R,5R)-5-methyl-1,4-dioxan-2-yl]methyl]azanium
CID 46227555
azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate
CID 174675745
1,3-dioxolan-4-ylmethyl(trimethyl)azanium bromide
CID 23273521
dimethyl-bis(oxiran-2-ylmethyl)azanium iodide
CID 88835208
(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
CID 146627833
[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide
CID 118719160
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9308
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate;trimethyl(oxiran-2-ylmethyl)azanium
CID 173032743
[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 11066550
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium;chloride;hydrate
CID 142409793

Frequently Asked Questions

What is the IUPAC name of [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium?
The IUPAC name of [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium (CID 157449169) is [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium.
What is the SMILES notation for [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium?
The canonical SMILES for [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium is C.C.C[N+](C)(C)C(O)=[Si](O)O.C[N+](C)(C)CC1CO1.C[N+]1(C)CC(O)C1.
What is the InChIKey of [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium?
The InChIKey is PWGLJOYDDJHZGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14NO.C5H12NO.C4H11NO3Si.2CH4/c1-7(2,3)4-6-5-8-6;1-6(2)3-5(7)4-6;1-5(2,3)4(6)9(7)8;;/h6H,4-5H2,1-3H3;5,7H,3-4H2,1-2H3;7-8H,1-3H3;2*1H4/q2*+1;;;/p+1.
What are the key properties of [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium?
[dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium has a molecular weight of 400.66 g/mol, XLogP of -0.99, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dihydroxysilylidene(hydroxy)methyl]-trimethylazanium;1,1-dimethylazetidin-1-ium-3-ol;methane;trimethyl(oxiran-2-ylmethyl)azanium is sourced from PubChem (CID 157449169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).