tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane

C17H28O2SSi — CID 24881766

IUPACtert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane
SMILESC/C(=C/[S@@](=O)c1ccc(C)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O2SSi/c1-14-8-10-16(11-9-14)20(18)13-15(2)12-19-21(6,7)17(3,4)5/h8-11,13H,12H2,1-7H3/b15-13-/t20-/m1/s1
InChIKeyZESOWSXOORJMKN-AFRXXKALSA-N
MW324.56 g/mol
LogP5.03
Rot. Bonds5

About tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane

tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane (PubChem CID 24881766) has the molecular formula C17H28O2SSi and a molecular weight of 324.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane
PubChem CID24881766
Molecular FormulaC17H28O2SSi
Molecular Weight324.56 g/mol
Exact Mass324.16
IUPAC Nametert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane
SMILESC/C(=C/[S@@](=O)c1ccc(C)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O2SSi/c1-14-8-10-16(11-9-14)20(18)13-15(2)12-19-21(6,7)17(3,4)5/h8-11,13H,12H2,1-7H3/b15-13-/t20-/m1/s1
InChIKeyZESOWSXOORJMKN-AFRXXKALSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane (CID 24881766) is tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane is C/C(=C/[S@@](=O)c1ccc(C)cc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane?
The InChIKey is ZESOWSXOORJMKN-AFRXXKALSA-N. The full InChI is InChI=1S/C17H28O2SSi/c1-14-8-10-16(11-9-14)20(18)13-15(2)12-19-21(6,7)17(3,4)5/h8-11,13H,12H2,1-7H3/b15-13-/t20-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane?
tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane has a molecular weight of 324.56 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane is sourced from PubChem (CID 24881766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).