3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol

C21H30O2Si — CID 11313883

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H30O2Si/c1-20(2,3)24(18-12-8-6-9-13-18,19-14-10-7-11-15-19)23-17-21(4,5)16-22/h6-15,22H,16-17H2,1-5H3
InChIKeyDJXIIERCRTXTPW-UHFFFAOYSA-N
MW342.56 g/mol
LogP3.58
Rot. Bonds6

About 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol

3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol (PubChem CID 11313883) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol
PubChem CID11313883
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H30O2Si/c1-20(2,3)24(18-12-8-6-9-13-18,19-14-10-7-11-15-19)23-17-21(4,5)16-22/h6-15,22H,16-17H2,1-5H3
InChIKeyDJXIIERCRTXTPW-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol (CID 11313883) is 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol is CC(C)(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol?
The InChIKey is DJXIIERCRTXTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-20(2,3)24(18-12-8-6-9-13-18,19-14-10-7-11-15-19)23-17-21(4,5)16-22/h6-15,22H,16-17H2,1-5H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol?
3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol has a molecular weight of 342.56 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 11313883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).