tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane

C22H28O2Si — CID 46854165

IUPACtert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
SMILESC[C@H]1C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H28O2Si/c1-18-15-16-19(24-18)17-23-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18-19H,17H2,1-4H3/t18-,19-/m0/s1
InChIKeyWFIJDBIMAMHLRL-OALUTQOASA-N
MW352.55 g/mol
LogP3.91
Rot. Bonds5

About tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane (PubChem CID 46854165) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
PubChem CID46854165
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Nametert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
SMILESC[C@H]1C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H28O2Si/c1-18-15-16-19(24-18)17-23-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18-19H,17H2,1-4H3/t18-,19-/m0/s1
InChIKeyWFIJDBIMAMHLRL-OALUTQOASA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,6S)-2,3-bis(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane
CID 122383866
tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
(3R,6S)-2-[1-(benzenesulfonyl)but-3-yn-2-yl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 101038658

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane (CID 46854165) is tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane is C[C@H]1C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane?
The InChIKey is WFIJDBIMAMHLRL-OALUTQOASA-N. The full InChI is InChI=1S/C22H28O2Si/c1-18-15-16-19(24-18)17-23-25(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18-19H,17H2,1-4H3/t18-,19-/m0/s1.
What are the key properties of tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane has a molecular weight of 352.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 46854165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).