(2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane

C17H26SSi — CID 13184528

IUPAC(2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane
SMILESC[Si](C)(C)C(C=C1CCCCC1)Sc1ccccc1
InChIInChI=1S/C17H26SSi/c1-19(2,3)17(14-15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h5,8-9,12-14,17H,4,6-7,10-11H2,1-3H3
InChIKeyANTJVDZZLNUHTH-UHFFFAOYSA-N
MW290.55 g/mol
LogP5.92
Rot. Bonds4

About (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane

(2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane (PubChem CID 13184528) has the molecular formula C17H26SSi and a molecular weight of 290.55 g/mol. Its IUPAC name is (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane.

Molecular Properties

Compound Name(2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane
PubChem CID13184528
Molecular FormulaC17H26SSi
Molecular Weight290.55 g/mol
Exact Mass290.15
IUPAC Name(2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane
SMILESC[Si](C)(C)C(C=C1CCCCC1)Sc1ccccc1
InChIInChI=1S/C17H26SSi/c1-19(2,3)17(14-15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h5,8-9,12-14,17H,4,6-7,10-11H2,1-3H3
InChIKeyANTJVDZZLNUHTH-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.55
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane?
The IUPAC name of (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane (CID 13184528) is (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane.
What is the SMILES notation for (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane?
The canonical SMILES for (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane is C[Si](C)(C)C(C=C1CCCCC1)Sc1ccccc1.
What is the InChIKey of (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane?
The InChIKey is ANTJVDZZLNUHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26SSi/c1-19(2,3)17(14-15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h5,8-9,12-14,17H,4,6-7,10-11H2,1-3H3.
What are the key properties of (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane?
(2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane has a molecular weight of 290.55 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylidene-1-phenylsulfanylethyl)-trimethylsilane is sourced from PubChem (CID 13184528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).