bis(3-butyl-1H-inden-2-yl)-dimethylsilane

C28H36Si — CID 22395100

IUPACbis(3-butyl-1H-inden-2-yl)-dimethylsilane
SMILESCCCCC1=C([Si](C)(C)C2=C(CCCC)c3ccccc3C2)Cc2ccccc21
InChIInChI=1S/C28H36Si/c1-5-7-15-25-23-17-11-9-13-21(23)19-27(25)29(3,4)28-20-22-14-10-12-18-24(22)26(28)16-8-6-2/h9-14,17-18H,5-8,15-16,19-20H2,1-4H3
InChIKeyPXYDUMAYSCNXNG-UHFFFAOYSA-N
MW400.68 g/mol
LogP8.17
Rot. Bonds8

About bis(3-butyl-1H-inden-2-yl)-dimethylsilane

bis(3-butyl-1H-inden-2-yl)-dimethylsilane (PubChem CID 22395100) has the molecular formula C28H36Si and a molecular weight of 400.68 g/mol. Its IUPAC name is bis(3-butyl-1H-inden-2-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-butyl-1H-inden-2-yl)-dimethylsilane
PubChem CID22395100
Molecular FormulaC28H36Si
Molecular Weight400.68 g/mol
Exact Mass400.26
IUPAC Namebis(3-butyl-1H-inden-2-yl)-dimethylsilane
SMILESCCCCC1=C([Si](C)(C)C2=C(CCCC)c3ccccc3C2)Cc2ccccc21
InChIInChI=1S/C28H36Si/c1-5-7-15-25-23-17-11-9-13-21(23)19-27(25)29(3,4)28-20-22-14-10-12-18-24(22)26(28)16-8-6-2/h9-14,17-18H,5-8,15-16,19-20H2,1-4H3
InChIKeyPXYDUMAYSCNXNG-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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(3-butyl-1H-inden-2-yl)-dimethylsilane?
The IUPAC name of bis(3-butyl-1H-inden-2-yl)-dimethylsilane (CID 22395100) is bis(3-butyl-1H-inden-2-yl)-dimethylsilane.
What is the SMILES notation for bis(3-butyl-1H-inden-2-yl)-dimethylsilane?
The canonical SMILES for bis(3-butyl-1H-inden-2-yl)-dimethylsilane is CCCCC1=C([Si](C)(C)C2=C(CCCC)c3ccccc3C2)Cc2ccccc21.
What is the InChIKey of bis(3-butyl-1H-inden-2-yl)-dimethylsilane?
The InChIKey is PXYDUMAYSCNXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Si/c1-5-7-15-25-23-17-11-9-13-21(23)19-27(25)29(3,4)28-20-22-14-10-12-18-24(22)26(28)16-8-6-2/h9-14,17-18H,5-8,15-16,19-20H2,1-4H3.
What are the key properties of bis(3-butyl-1H-inden-2-yl)-dimethylsilane?
bis(3-butyl-1H-inden-2-yl)-dimethylsilane has a molecular weight of 400.68 g/mol, XLogP of 8.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-butyl-1H-inden-2-yl)-dimethylsilane is sourced from PubChem (CID 22395100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).