4-triphenylsilyloxybut-2-yn-1-ol

C22H20O2Si — CID 101129706

IUPAC4-triphenylsilyloxybut-2-yn-1-ol
SMILESOCC#CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2Si/c23-18-10-11-19-24-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,18-19H2
InChIKeySRGRQMZPIPSZNB-UHFFFAOYSA-N
MW344.49 g/mol
LogP1.67
Rot. Bonds5

About 4-triphenylsilyloxybut-2-yn-1-ol

4-triphenylsilyloxybut-2-yn-1-ol (PubChem CID 101129706) has the molecular formula C22H20O2Si and a molecular weight of 344.49 g/mol. Its IUPAC name is 4-triphenylsilyloxybut-2-yn-1-ol.

Molecular Properties

Compound Name4-triphenylsilyloxybut-2-yn-1-ol
PubChem CID101129706
Molecular FormulaC22H20O2Si
Molecular Weight344.49 g/mol
Exact Mass344.12
IUPAC Name4-triphenylsilyloxybut-2-yn-1-ol
SMILESOCC#CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2Si/c23-18-10-11-19-24-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,18-19H2
InChIKeySRGRQMZPIPSZNB-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Triphenylsilanol
CID 69925
Diphenyldiethoxysilane
CID 75705
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
3-((tert-Butyldiphenylsilyl)oxy)-2,2-dimethylpropan-1-ol
CID 11313883
2-(Triphenylsilyl)ethanol
CID 10267053
Diphenyl-dipropoxy-silane
CID 14324871
Ethanol, 2-(methyldiphenylsilyl)-
CID 170302
(Allyloxy)triphenylsilane
CID 4093340
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
CID 138971112
Triphenylsilanecarboxylic acid
CID 224224

Frequently Asked Questions

What is the IUPAC name of 4-triphenylsilyloxybut-2-yn-1-ol?
The IUPAC name of 4-triphenylsilyloxybut-2-yn-1-ol (CID 101129706) is 4-triphenylsilyloxybut-2-yn-1-ol.
What is the SMILES notation for 4-triphenylsilyloxybut-2-yn-1-ol?
The canonical SMILES for 4-triphenylsilyloxybut-2-yn-1-ol is OCC#CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-triphenylsilyloxybut-2-yn-1-ol?
The InChIKey is SRGRQMZPIPSZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2Si/c23-18-10-11-19-24-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23H,18-19H2.
What are the key properties of 4-triphenylsilyloxybut-2-yn-1-ol?
4-triphenylsilyloxybut-2-yn-1-ol has a molecular weight of 344.49 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triphenylsilyloxybut-2-yn-1-ol is sourced from PubChem (CID 101129706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).