[(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane

C14H22O3SSi — CID 135071389

IUPAC[(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane
SMILESCOC(OC)/C(=C/Sc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C14H22O3SSi/c1-15-14(16-2)13(17-19(3,4)5)11-18-12-9-7-6-8-10-12/h6-11,14H,1-5H3/b13-11-
InChIKeyMOSXPYPJVOSKOX-QBFSEMIESA-N
MW298.48 g/mol
LogP4.09
Rot. Bonds7

About [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane

[(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane (PubChem CID 135071389) has the molecular formula C14H22O3SSi and a molecular weight of 298.48 g/mol. Its IUPAC name is [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane
PubChem CID135071389
Molecular FormulaC14H22O3SSi
Molecular Weight298.48 g/mol
Exact Mass298.11
IUPAC Name[(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane
SMILESCOC(OC)/C(=C/Sc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C14H22O3SSi/c1-15-14(16-2)13(17-19(3,4)5)11-18-12-9-7-6-8-10-12/h6-11,14H,1-5H3/b13-11-
InChIKeyMOSXPYPJVOSKOX-QBFSEMIESA-N
XLogP4.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane?
The IUPAC name of [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane (CID 135071389) is [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane is COC(OC)/C(=C/Sc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane?
The InChIKey is MOSXPYPJVOSKOX-QBFSEMIESA-N. The full InChI is InChI=1S/C14H22O3SSi/c1-15-14(16-2)13(17-19(3,4)5)11-18-12-9-7-6-8-10-12/h6-11,14H,1-5H3/b13-11-.
What are the key properties of [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane?
[(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane has a molecular weight of 298.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,3-dimethoxy-1-phenylsulfanylprop-1-en-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 135071389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).