triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane

C18H30O2SSi — CID 53306489

IUPACtriethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane
SMILESCC[Si](CC)(CC)OC(C)/C(C)=C\[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H30O2SSi/c1-7-22(8-2,9-3)20-17(6)16(5)14-21(19)18-12-10-15(4)11-13-18/h10-14,17H,7-9H2,1-6H3/b16-14-/t17?,21-/m1/s1
InChIKeyWVMAZCCVMHLJHL-CFJJTBRWSA-N
MW338.59 g/mol
LogP5.42
Rot. Bonds8

About triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane

triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane (PubChem CID 53306489) has the molecular formula C18H30O2SSi and a molecular weight of 338.59 g/mol. Its IUPAC name is triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane
PubChem CID53306489
Molecular FormulaC18H30O2SSi
Molecular Weight338.59 g/mol
Exact Mass338.17
IUPAC Nametriethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane
SMILESCC[Si](CC)(CC)OC(C)/C(C)=C\[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H30O2SSi/c1-7-22(8-2,9-3)20-17(6)16(5)14-21(19)18-12-10-15(4)11-13-18/h10-14,17H,7-9H2,1-6H3/b16-14-/t17?,21-/m1/s1
InChIKeyWVMAZCCVMHLJHL-CFJJTBRWSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.59
LogP ≤ 55.42
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 triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane?
The IUPAC name of triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane (CID 53306489) is triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane.
What is the SMILES notation for triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane?
The canonical SMILES for triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane is CC[Si](CC)(CC)OC(C)/C(C)=C\[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane?
The InChIKey is WVMAZCCVMHLJHL-CFJJTBRWSA-N. The full InChI is InChI=1S/C18H30O2SSi/c1-7-22(8-2,9-3)20-17(6)16(5)14-21(19)18-12-10-15(4)11-13-18/h10-14,17H,7-9H2,1-6H3/b16-14-/t17?,21-/m1/s1.
What are the key properties of triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane?
triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane has a molecular weight of 338.59 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane is sourced from PubChem (CID 53306489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).