trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane

C17H29N3OSiSn — CID 168730347

IUPACtrimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)nc1[Sn](C)(C)C
InChIInChI=1S/C14H20N3OSi.3CH3.Sn/c1-19(2,3)10-9-18-12-17-11-15-14(16-17)13-7-5-4-6-8-13;;;;/h4-8H,9-10,12H2,1-3H3;3*1H3;
InChIKeyGMIWBHUXZAPVJB-UHFFFAOYSA-N
MW438.24 g/mol
LogP3.80
Rot. Bonds7

About trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane

trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane (PubChem CID 168730347) has the molecular formula C17H29N3OSiSn and a molecular weight of 438.24 g/mol. Its IUPAC name is trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
PubChem CID168730347
Molecular FormulaC17H29N3OSiSn
Molecular Weight438.24 g/mol
Exact Mass439.11
IUPAC Nametrimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)nc1[Sn](C)(C)C
InChIInChI=1S/C14H20N3OSi.3CH3.Sn/c1-19(2,3)10-9-18-12-17-11-15-14(16-17)13-7-5-4-6-8-13;;;;/h4-8H,9-10,12H2,1-3H3;3*1H3;
InChIKeyGMIWBHUXZAPVJB-UHFFFAOYSA-N
XLogP3.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
4-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 141048810
tert-butyl 2,2-dimethyl-3-[[5-[4-[5-phenyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]propanoate
CID 123338244
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
2-[[5-(benzenesulfonyl)-3-bromo-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153356807
[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-phenylmethanone
CID 157048343
1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 162784324
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
2-[[3-bromo-5-(phenylsulfonimidoyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153357237
4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018699

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane (CID 168730347) is trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(-c2ccccc2)nc1[Sn](C)(C)C.
What is the InChIKey of trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane?
The InChIKey is GMIWBHUXZAPVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N3OSi.3CH3.Sn/c1-19(2,3)10-9-18-12-17-11-15-14(16-17)13-7-5-4-6-8-13;;;;/h4-8H,9-10,12H2,1-3H3;3*1H3;.
What are the key properties of trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane?
trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane has a molecular weight of 438.24 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 168730347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).