tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane

C24H34OSSi — CID 134929579

IUPACtert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane
SMILESC=CCS[C@@H](c1ccc(C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H34OSSi/c1-8-18-26-23(21-16-14-19(2)15-17-21)22(20-12-10-9-11-13-20)25-27(6,7)24(3,4)5/h8-17,22-23H,1,18H2,2-7H3/t22-,23+/m1/s1
InChIKeyXOIINIFIMJCKJK-PKTZIBPZSA-N
MW398.69 g/mol
LogP7.72
Rot. Bonds8

About tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane

tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane (PubChem CID 134929579) has the molecular formula C24H34OSSi and a molecular weight of 398.69 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane
PubChem CID134929579
Molecular FormulaC24H34OSSi
Molecular Weight398.69 g/mol
Exact Mass398.21
IUPAC Nametert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane
SMILESC=CCS[C@@H](c1ccc(C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H34OSSi/c1-8-18-26-23(21-16-14-19(2)15-17-21)22(20-12-10-9-11-13-20)25-27(6,7)24(3,4)5/h8-17,22-23H,1,18H2,2-7H3/t22-,23+/m1/s1
InChIKeyXOIINIFIMJCKJK-PKTZIBPZSA-N
XLogP7.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.69
LogP ≤ 57.72
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

Silane, (diphenylmethoxy)trimethyl-
CID 597386
Silane, dimethylphenyl(1-phenylethoxy)-
CID 11054287
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]pent-3-enoxy]-dimethylsilane
CID 12124315
dimethyl-phenyl-[(Z)-5-triethylsilyloxy-5-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane
CID 154720026
(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol
CID 15257346
Benzhydryloxy(triethyl)silane
CID 11403798
Benzhydryloxy-tert-butyl-dimethylsilane
CID 11483397
Tert-butyl-dimethyl-[(4-phenylphenyl)methoxy]silane
CID 11738087
triethyl-[(E)-2-methyl-1,3-diphenylprop-2-enoxy]silane
CID 12130401
triethyl-[(E,1R)-2-methyl-1,3-diphenylprop-2-enoxy]silane
CID 102515903
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
Dimethyl-phenyl-[1-[4-(trifluoromethyl)phenyl]ethoxy]silane
CID 142748813

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane (CID 134929579) is tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane is C=CCS[C@@H](c1ccc(C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane?
The InChIKey is XOIINIFIMJCKJK-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H34OSSi/c1-8-18-26-23(21-16-14-19(2)15-17-21)22(20-12-10-9-11-13-20)25-27(6,7)24(3,4)5/h8-17,22-23H,1,18H2,2-7H3/t22-,23+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane?
tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane has a molecular weight of 398.69 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane is sourced from PubChem (CID 134929579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).