tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane

C22H26O2Si — CID 141485645

IUPACtert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane
SMILESC#CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1
InChIInChI=1S/C22H26O2Si/c1-5-22(16-23-17-22)18-24-25(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h1,6-15H,16-18H2,2-4H3
InChIKeyOFANKZZMZLVIOP-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.21
Rot. Bonds5

About tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane

tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane (PubChem CID 141485645) has the molecular formula C22H26O2Si and a molecular weight of 350.53 g/mol. Its IUPAC name is tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane
PubChem CID141485645
Molecular FormulaC22H26O2Si
Molecular Weight350.53 g/mol
Exact Mass350.17
IUPAC Nametert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane
SMILESC#CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1
InChIInChI=1S/C22H26O2Si/c1-5-22(16-23-17-22)18-24-25(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h1,6-15H,16-18H2,2-4H3
InChIKeyOFANKZZMZLVIOP-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.21
H-Bond Donors ≤ 50
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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Related Compounds

tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
2-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxetan-3-yl]ethanol
CID 177119133
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide
CID 10916308
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol
CID 11090300
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
tert-butyl-[2-[(4S,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid
CID 135075131

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane (CID 141485645) is tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane is C#CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1.
What is the InChIKey of tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane?
The InChIKey is OFANKZZMZLVIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2Si/c1-5-22(16-23-17-22)18-24-25(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h1,6-15H,16-18H2,2-4H3.
What are the key properties of tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane?
tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane has a molecular weight of 350.53 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 141485645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).