tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane

C21H28O2Si — CID 56616386

IUPACtert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)23-17-18-11-10-16-22-18/h4-9,12-15,18H,10-11,16-17H2,1-3H3/t18-/m0/s1
InChIKeyUEMGBFBUKBCENV-SFHVURJKSA-N
MW340.54 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane (PubChem CID 56616386) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
PubChem CID56616386
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Nametert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)23-17-18-11-10-16-22-18/h4-9,12-15,18H,10-11,16-17H2,1-3H3/t18-/m0/s1
InChIKeyUEMGBFBUKBCENV-SFHVURJKSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile
CID 66588772
CID 101368247
CID 101368247
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone
CID 11799218
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane (CID 56616386) is tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane?
The InChIKey is UEMGBFBUKBCENV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-21(2,3)24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)23-17-18-11-10-16-22-18/h4-9,12-15,18H,10-11,16-17H2,1-3H3/t18-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane has a molecular weight of 340.54 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 56616386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).