tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane

C20H26OSSi — CID 140876888

IUPACtert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
SMILESCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CS1
InChIInChI=1S/C20H26OSSi/c1-19(2,3)23(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21-15-20(4)16-22-20/h5-14H,15-16H2,1-4H3
InChIKeyYJVUXSGKXOLHON-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.07
Rot. Bonds5

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

tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane (PubChem CID 140876888) has the molecular formula C20H26OSSi and a molecular weight of 342.58 g/mol. Its IUPAC name is tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
PubChem CID140876888
Molecular FormulaC20H26OSSi
Molecular Weight342.58 g/mol
Exact Mass342.15
IUPAC Nametert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
SMILESCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CS1
InChIInChI=1S/C20H26OSSi/c1-19(2,3)23(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21-15-20(4)16-22-20/h5-14H,15-16H2,1-4H3
InChIKeyYJVUXSGKXOLHON-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
CID 159943416
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane
CID 141485645
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid
CID 135075131
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane (CID 140876888) is tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane is CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CS1.
What is the InChIKey of tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane?
The InChIKey is YJVUXSGKXOLHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OSSi/c1-19(2,3)23(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21-15-20(4)16-22-20/h5-14H,15-16H2,1-4H3.
What are the key properties of tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane?
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane has a molecular weight of 342.58 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 140876888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).