[tert-butyl(diphenyl)silyl]methanediol

C17H22O2Si — CID 166018796

IUPAC[tert-butyl(diphenyl)silyl]methanediol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)C(O)O
InChIInChI=1S/C17H22O2Si/c1-17(2,3)20(16(18)19,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,18-19H,1-3H3
InChIKeyBHOLUYKSPVJBEH-UHFFFAOYSA-N
MW286.45 g/mol
LogP1.90
Rot. Bonds3

About [tert-butyl(diphenyl)silyl]methanediol

[tert-butyl(diphenyl)silyl]methanediol (PubChem CID 166018796) has the molecular formula C17H22O2Si and a molecular weight of 286.45 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl]methanediol.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl]methanediol
PubChem CID166018796
Molecular FormulaC17H22O2Si
Molecular Weight286.45 g/mol
Exact Mass286.14
IUPAC Name[tert-butyl(diphenyl)silyl]methanediol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)C(O)O
InChIInChI=1S/C17H22O2Si/c1-17(2,3)20(16(18)19,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,18-19H,1-3H3
InChIKeyBHOLUYKSPVJBEH-UHFFFAOYSA-N
XLogP1.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl(diphenyl)silyl]-(2-methylphenyl)methanol
CID 164686352
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793
(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
CID 135746136
(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol
CID 134904760
(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol
CID 11058768
8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one
CID 69304890
[3-[tert-butyl(diphenyl)silyl]-3-hydroxypropyl] trifluoromethanesulfonate
CID 174145918
tert-butyl-(2-methoxy-1-trimethylsilylethyl)-diphenylsilane
CID 67804101
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
(amino-tert-butyl-phenylsilyl)benzene
CID 14007717

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(diphenyl)silyl]methanediol?
The IUPAC name of [tert-butyl(diphenyl)silyl]methanediol (CID 166018796) is [tert-butyl(diphenyl)silyl]methanediol.
What is the SMILES notation for [tert-butyl(diphenyl)silyl]methanediol?
The canonical SMILES for [tert-butyl(diphenyl)silyl]methanediol is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)C(O)O.
What is the InChIKey of [tert-butyl(diphenyl)silyl]methanediol?
The InChIKey is BHOLUYKSPVJBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2Si/c1-17(2,3)20(16(18)19,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,18-19H,1-3H3.
What are the key properties of [tert-butyl(diphenyl)silyl]methanediol?
[tert-butyl(diphenyl)silyl]methanediol has a molecular weight of 286.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl]methanediol is sourced from PubChem (CID 166018796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).