1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol

C20H27N3O2Si — CID 10384482

IUPAC1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol
SMILESCC(C)C(O)C(c1ccccc1O[Si](C)(C)C)n1nnc2ccccc21
InChIInChI=1S/C20H27N3O2Si/c1-14(2)20(24)19(23-17-12-8-7-11-16(17)21-22-23)15-10-6-9-13-18(15)25-26(3,4)5/h6-14,19-20,24H,1-5H3
InChIKeyBGHRJVGQIODMSX-UHFFFAOYSA-N
MW369.54 g/mol
LogP4.25
Rot. Bonds6

About 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol

1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol (PubChem CID 10384482) has the molecular formula C20H27N3O2Si and a molecular weight of 369.54 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol
PubChem CID10384482
Molecular FormulaC20H27N3O2Si
Molecular Weight369.54 g/mol
Exact Mass369.19
IUPAC Name1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol
SMILESCC(C)C(O)C(c1ccccc1O[Si](C)(C)C)n1nnc2ccccc21
InChIInChI=1S/C20H27N3O2Si/c1-14(2)20(24)19(23-17-12-8-7-11-16(17)21-22-23)15-10-6-9-13-18(15)25-26(3,4)5/h6-14,19-20,24H,1-5H3
InChIKeyBGHRJVGQIODMSX-UHFFFAOYSA-N
XLogP4.25
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol?
The IUPAC name of 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol (CID 10384482) is 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol.
What is the SMILES notation for 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol?
The canonical SMILES for 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol is CC(C)C(O)C(c1ccccc1O[Si](C)(C)C)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol?
The InChIKey is BGHRJVGQIODMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2Si/c1-14(2)20(24)19(23-17-12-8-7-11-16(17)21-22-23)15-10-6-9-13-18(15)25-26(3,4)5/h6-14,19-20,24H,1-5H3.
What are the key properties of 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol?
1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol has a molecular weight of 369.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol is sourced from PubChem (CID 10384482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).