11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde

C15H16OS3Si — CID 135032017

IUPAC11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde
SMILESCC=Cc1sc([Si](C)(C)C)c2sc3csc(C=O)c3c12
InChIInChI=1S/C15H16OS3Si/c1-5-6-9-13-12-10(7-16)17-8-11(12)18-14(13)15(19-9)20(2,3)4/h5-8H,1-4H3
InChIKeyFPLKQKWPICYMHU-UHFFFAOYSA-N
MW336.58 g/mol
LogP5.57
Rot. Bonds3

About 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde

11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde (PubChem CID 135032017) has the molecular formula C15H16OS3Si and a molecular weight of 336.58 g/mol. Its IUPAC name is 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde.

Molecular Properties

Compound Name11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde
PubChem CID135032017
Molecular FormulaC15H16OS3Si
Molecular Weight336.58 g/mol
Exact Mass336.01
IUPAC Name11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde
SMILESCC=Cc1sc([Si](C)(C)C)c2sc3csc(C=O)c3c12
InChIInChI=1S/C15H16OS3Si/c1-5-6-9-13-12-10(7-16)17-8-11(12)18-14(13)15(19-9)20(2,3)4/h5-8H,1-4H3
InChIKeyFPLKQKWPICYMHU-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.58
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde?
The IUPAC name of 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde (CID 135032017) is 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde.
What is the SMILES notation for 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde?
The canonical SMILES for 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde is CC=Cc1sc([Si](C)(C)C)c2sc3csc(C=O)c3c12.
What is the InChIKey of 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde?
The InChIKey is FPLKQKWPICYMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS3Si/c1-5-6-9-13-12-10(7-16)17-8-11(12)18-14(13)15(19-9)20(2,3)4/h5-8H,1-4H3.
What are the key properties of 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde?
11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde has a molecular weight of 336.58 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-prop-1-enyl-9-trimethylsilyl-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3-carbaldehyde is sourced from PubChem (CID 135032017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).