[(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane

C18H30O3SSi — CID 101252175

IUPAC[(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1S(=O)c1ccccc1
InChIInChI=1S/C18H30O3SSi/c1-7-11-15(21-23(5,6)18(2,3)4)16-17(20-16)22(19)14-12-9-8-10-13-14/h8-10,12-13,15-17H,7,11H2,1-6H3/t15-,16+,17+,22?/m1/s1
InChIKeyJEHVMFGCMIDSED-WSDGFUFPSA-N
MW354.59 g/mol
LogP4.71
Rot. Bonds7

About [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane

[(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane (PubChem CID 101252175) has the molecular formula C18H30O3SSi and a molecular weight of 354.59 g/mol. Its IUPAC name is [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
PubChem CID101252175
Molecular FormulaC18H30O3SSi
Molecular Weight354.59 g/mol
Exact Mass354.17
IUPAC Name[(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1S(=O)c1ccccc1
InChIInChI=1S/C18H30O3SSi/c1-7-11-15(21-23(5,6)18(2,3)4)16-17(20-16)22(19)14-12-9-8-10-13-14/h8-10,12-13,15-17H,7,11H2,1-6H3/t15-,16+,17+,22?/m1/s1
InChIKeyJEHVMFGCMIDSED-WSDGFUFPSA-N
XLogP4.71
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2R,4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]-4-[dimethyl(phenyl)silyl]oxolane-2-carbaldehyde
CID 11511926
tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane
CID 10863309
(2S,3R)-2-[(S)-(4-methylphenyl)sulfinyl]-3-propan-2-yloxirane
CID 10656772
[(1R)-1-[(2R,3R)-3-[(E)-but-1-enyl]-3-(4-methylphenyl)sulfinyloxiran-2-yl]pentoxy]-tert-butyl-dimethylsilane
CID 101397143
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate
CID 10918838
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane
CID 11078347
(4R,5S)-N-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 11497779
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
[(E)-8-(benzenesulfinyl)-6-methyloct-6-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 10090971
(1R,2S,4S,5R)-2-[(1R)-1,2-bis(phenylmethoxy)ethyl]-4-(4-methylphenyl)sulfinyl-3,6-dioxabicyclo[3.1.0]hexane
CID 15946987

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane (CID 101252175) is [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane is CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1S(=O)c1ccccc1.
What is the InChIKey of [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane?
The InChIKey is JEHVMFGCMIDSED-WSDGFUFPSA-N. The full InChI is InChI=1S/C18H30O3SSi/c1-7-11-15(21-23(5,6)18(2,3)4)16-17(20-16)22(19)14-12-9-8-10-13-14/h8-10,12-13,15-17H,7,11H2,1-6H3/t15-,16+,17+,22?/m1/s1.
What are the key properties of [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane?
[(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane has a molecular weight of 354.59 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3S)-3-(benzenesulfinyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101252175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).