4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol

C20H24O2Si — CID 59234967

IUPAC4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol
SMILESCC(C)(C)[Si](OCC#CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,21H,16-17H2,1-3H3
InChIKeyZOSRBHPGDNYABT-UHFFFAOYSA-N
MW324.50 g/mol
LogP2.56
Rot. Bonds4

About 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol

4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol (PubChem CID 59234967) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol
PubChem CID59234967
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol
SMILESCC(C)(C)[Si](OCC#CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,21H,16-17H2,1-3H3
InChIKeyZOSRBHPGDNYABT-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol (CID 59234967) is 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol is CC(C)(C)[Si](OCC#CCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol?
The InChIKey is ZOSRBHPGDNYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,21H,16-17H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol?
4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol has a molecular weight of 324.50 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxybut-2-yn-1-ol is sourced from PubChem (CID 59234967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).