bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane

C36H48S2Si — CID 89128655

IUPACbis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
SMILESCCC1=C(c2ccccc2)C2CC(CC)C([Si](C)(C)C3C(CC)CC4C(c5ccccc5)=C(CC)SC43)C2S1
InChIInChI=1S/C36H48S2Si/c1-7-23-21-27-31(25-17-13-11-14-18-25)29(9-3)37-33(27)35(23)39(5,6)36-24(8-2)22-28-32(26-19-15-12-16-20-26)30(10-4)38-34(28)36/h11-20,23-24,27-28,33-36H,7-10,21-22H2,1-6H3
InChIKeyFLIYAUBSVGRDLG-UHFFFAOYSA-N
MW573.00 g/mol
LogP11.40
Rot. Bonds8

About bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane

bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane (PubChem CID 89128655) has the molecular formula C36H48S2Si and a molecular weight of 573.00 g/mol. Its IUPAC name is bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
PubChem CID89128655
Molecular FormulaC36H48S2Si
Molecular Weight573.00 g/mol
Exact Mass572.30
IUPAC Namebis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
SMILESCCC1=C(c2ccccc2)C2CC(CC)C([Si](C)(C)C3C(CC)CC4C(c5ccccc5)=C(CC)SC43)C2S1
InChIInChI=1S/C36H48S2Si/c1-7-23-21-27-31(25-17-13-11-14-18-25)29(9-3)37-33(27)35(23)39(5,6)36-24(8-2)22-28-32(26-19-15-12-16-20-26)30(10-4)38-34(28)36/h11-20,23-24,27-28,33-36H,7-10,21-22H2,1-6H3
InChIKeyFLIYAUBSVGRDLG-UHFFFAOYSA-N
XLogP11.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.00
LogP ≤ 511.40
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 bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The IUPAC name of bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane (CID 89128655) is bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane.
What is the SMILES notation for bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The canonical SMILES for bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane is CCC1=C(c2ccccc2)C2CC(CC)C([Si](C)(C)C3C(CC)CC4C(c5ccccc5)=C(CC)SC43)C2S1.
What is the InChIKey of bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The InChIKey is FLIYAUBSVGRDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48S2Si/c1-7-23-21-27-31(25-17-13-11-14-18-25)29(9-3)37-33(27)35(23)39(5,6)36-24(8-2)22-28-32(26-19-15-12-16-20-26)30(10-4)38-34(28)36/h11-20,23-24,27-28,33-36H,7-10,21-22H2,1-6H3.
What are the key properties of bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane has a molecular weight of 573.00 g/mol, XLogP of 11.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-diethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane is sourced from PubChem (CID 89128655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).