trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane

C17H28O2SSi — CID 134933400

IUPACtrimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane
SMILESCCCC/C(=C/[S@@](=O)c1ccc(C)cc1)CO[Si](C)(C)C
InChIInChI=1S/C17H28O2SSi/c1-6-7-8-16(13-19-21(3,4)5)14-20(18)17-11-9-15(2)10-12-17/h9-12,14H,6-8,13H2,1-5H3/b16-14-/t20-/m1/s1
InChIKeyCJAJNHGQYVUDOF-FZWACIFYSA-N
MW324.56 g/mol
LogP5.03
Rot. Bonds8

About trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane

trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane (PubChem CID 134933400) has the molecular formula C17H28O2SSi and a molecular weight of 324.56 g/mol. Its IUPAC name is trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane
PubChem CID134933400
Molecular FormulaC17H28O2SSi
Molecular Weight324.56 g/mol
Exact Mass324.16
IUPAC Nametrimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane
SMILESCCCC/C(=C/[S@@](=O)c1ccc(C)cc1)CO[Si](C)(C)C
InChIInChI=1S/C17H28O2SSi/c1-6-7-8-16(13-19-21(3,4)5)14-20(18)17-11-9-15(2)10-12-17/h9-12,14H,6-8,13H2,1-5H3/b16-14-/t20-/m1/s1
InChIKeyCJAJNHGQYVUDOF-FZWACIFYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane
CID 11076455
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
Trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
trimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]silane
CID 10900705
trimethyl-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]silane
CID 10966647
trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane
CID 23245895
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
Tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane
CID 12061429
tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 12061432
tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane
CID 12061434
trimethyl-[(2E)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane
CID 13610767

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane?
The IUPAC name of trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane (CID 134933400) is trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane.
What is the SMILES notation for trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane?
The canonical SMILES for trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane is CCCC/C(=C/[S@@](=O)c1ccc(C)cc1)CO[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane?
The InChIKey is CJAJNHGQYVUDOF-FZWACIFYSA-N. The full InChI is InChI=1S/C17H28O2SSi/c1-6-7-8-16(13-19-21(3,4)5)14-20(18)17-11-9-15(2)10-12-17/h9-12,14H,6-8,13H2,1-5H3/b16-14-/t20-/m1/s1.
What are the key properties of trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane?
trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane has a molecular weight of 324.56 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2Z)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane is sourced from PubChem (CID 134933400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).