(2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone

C19H28OSSi — CID 134917759

IUPAC(2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone
SMILESC/S(CC=C1CCCC1)=C(/C(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H28OSSi/c1-21(15-14-16-10-8-9-11-16)19(22(2,3)4)18(20)17-12-6-5-7-13-17/h5-7,12-14H,8-11,15H2,1-4H3
InChIKeyNFWBOFOBBJIWTA-UHFFFAOYSA-N
MW332.58 g/mol
LogP5.32
Rot. Bonds5

About (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone

(2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone (PubChem CID 134917759) has the molecular formula C19H28OSSi and a molecular weight of 332.58 g/mol. Its IUPAC name is (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone.

Molecular Properties

Compound Name(2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone
PubChem CID134917759
Molecular FormulaC19H28OSSi
Molecular Weight332.58 g/mol
Exact Mass332.16
IUPAC Name(2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone
SMILESC/S(CC=C1CCCC1)=C(/C(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H28OSSi/c1-21(15-14-16-10-8-9-11-16)19(22(2,3)4)18(20)17-12-6-5-7-13-17/h5-7,12-14H,8-11,15H2,1-4H3
InChIKeyNFWBOFOBBJIWTA-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 55.32
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone?
The IUPAC name of (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone (CID 134917759) is (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone.
What is the SMILES notation for (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone?
The canonical SMILES for (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone is C/S(CC=C1CCCC1)=C(/C(=O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone?
The InChIKey is NFWBOFOBBJIWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OSSi/c1-21(15-14-16-10-8-9-11-16)19(22(2,3)4)18(20)17-12-6-5-7-13-17/h5-7,12-14H,8-11,15H2,1-4H3.
What are the key properties of (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone?
(2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone has a molecular weight of 332.58 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-cyclopentylideneethyl(methyl)-λ4-sulfanylidene]-1-phenyl-2-trimethylsilylethanone is sourced from PubChem (CID 134917759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).