[2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane

C18H21N3OSi — CID 3755858

IUPAC[2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane
SMILESC=C(C(O[Si](C)(C)C)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C18H21N3OSi/c1-14(21-17-13-9-8-12-16(17)19-20-21)18(22-23(2,3)4)15-10-6-5-7-11-15/h5-13,18H,1H2,2-4H3
InChIKeyWARLKVQYXTXDLE-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.49
Rot. Bonds5

About [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane

[2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane (PubChem CID 3755858) has the molecular formula C18H21N3OSi and a molecular weight of 323.47 g/mol. Its IUPAC name is [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane
PubChem CID3755858
Molecular FormulaC18H21N3OSi
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name[2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane
SMILESC=C(C(O[Si](C)(C)C)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C18H21N3OSi/c1-14(21-17-13-9-8-12-16(17)19-20-21)18(22-23(2,3)4)15-10-6-5-7-11-15/h5-13,18H,1H2,2-4H3
InChIKeyWARLKVQYXTXDLE-UHFFFAOYSA-N
XLogP4.49
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
1-phenyl-1-trimethylsilyloxypropan-2-one
CID 14957195
(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone
CID 71453311
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
1-(2-methoxy-2-phenylethyl)benzotriazole
CID 3740185
N-[3-(benzotriazol-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 4796162
1-[(E)-1-ethoxy-3,4-diphenylbut-1-enyl]benzotriazole
CID 10499342
(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
CID 10449065
1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
CID 156786178

Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane?
The IUPAC name of [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane (CID 3755858) is [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane.
What is the SMILES notation for [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane?
The canonical SMILES for [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane is C=C(C(O[Si](C)(C)C)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane?
The InChIKey is WARLKVQYXTXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OSi/c1-14(21-17-13-9-8-12-16(17)19-20-21)18(22-23(2,3)4)15-10-6-5-7-11-15/h5-13,18H,1H2,2-4H3.
What are the key properties of [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane?
[2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane has a molecular weight of 323.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-1-yl)-1-phenylprop-2-enoxy]-trimethylsilane is sourced from PubChem (CID 3755858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).