bis[1-(1H-inden-1-yl)butyl]-dimethylsilane

C28H36Si — CID 23131966

IUPACbis[1-(1H-inden-1-yl)butyl]-dimethylsilane
SMILESCCCC(C1C=Cc2ccccc21)[Si](C)(C)C(CCC)C1C=Cc2ccccc21
InChIInChI=1S/C28H36Si/c1-5-11-27(25-19-17-21-13-7-9-15-23(21)25)29(3,4)28(12-6-2)26-20-18-22-14-8-10-16-24(22)26/h7-10,13-20,25-28H,5-6,11-12H2,1-4H3
InChIKeyIPODAYVRDBPNAK-UHFFFAOYSA-N
MW400.68 g/mol
LogP8.66
Rot. Bonds8

About bis[1-(1H-inden-1-yl)butyl]-dimethylsilane

bis[1-(1H-inden-1-yl)butyl]-dimethylsilane (PubChem CID 23131966) has the molecular formula C28H36Si and a molecular weight of 400.68 g/mol. Its IUPAC name is bis[1-(1H-inden-1-yl)butyl]-dimethylsilane.

Molecular Properties

Compound Namebis[1-(1H-inden-1-yl)butyl]-dimethylsilane
PubChem CID23131966
Molecular FormulaC28H36Si
Molecular Weight400.68 g/mol
Exact Mass400.26
IUPAC Namebis[1-(1H-inden-1-yl)butyl]-dimethylsilane
SMILESCCCC(C1C=Cc2ccccc21)[Si](C)(C)C(CCC)C1C=Cc2ccccc21
InChIInChI=1S/C28H36Si/c1-5-11-27(25-19-17-21-13-7-9-15-23(21)25)29(3,4)28(12-6-2)26-20-18-22-14-8-10-16-24(22)26/h7-10,13-20,25-28H,5-6,11-12H2,1-4H3
InChIKeyIPODAYVRDBPNAK-UHFFFAOYSA-N
XLogP8.66
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 ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;1-[1-(1H-inden-1-yl)ethyl]-1H-indene
CID 173341503
CID 54557103
CID 54557103
hydron;1H-inden-1-ol
CID 174812636
lithium;hydride;triethyl(1H-inden-1-yl)silane
CID 173341562
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
2-(1H-inden-1-yl)propanedinitrile
CID 172799922
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
sodium;ethyl-tris(1H-inden-1-yl)silane;hydride
CID 173341376
1-butyl-1H-indene;zirconium
CID 175289141
2-butan-2-yl-N,N-di(heptan-4-yl)-1,2-dihydronaphthalene-1-carboxamide
CID 11796655
butyl-(1H-inden-1-yl)-methyl-phenylsilane
CID 88850734
1-[bis(4-methoxyphenyl)methyl]-1H-indene
CID 122215297

Frequently Asked Questions

What is the IUPAC name of bis[1-(1H-inden-1-yl)butyl]-dimethylsilane?
The IUPAC name of bis[1-(1H-inden-1-yl)butyl]-dimethylsilane (CID 23131966) is bis[1-(1H-inden-1-yl)butyl]-dimethylsilane.
What is the SMILES notation for bis[1-(1H-inden-1-yl)butyl]-dimethylsilane?
The canonical SMILES for bis[1-(1H-inden-1-yl)butyl]-dimethylsilane is CCCC(C1C=Cc2ccccc21)[Si](C)(C)C(CCC)C1C=Cc2ccccc21.
What is the InChIKey of bis[1-(1H-inden-1-yl)butyl]-dimethylsilane?
The InChIKey is IPODAYVRDBPNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Si/c1-5-11-27(25-19-17-21-13-7-9-15-23(21)25)29(3,4)28(12-6-2)26-20-18-22-14-8-10-16-24(22)26/h7-10,13-20,25-28H,5-6,11-12H2,1-4H3.
What are the key properties of bis[1-(1H-inden-1-yl)butyl]-dimethylsilane?
bis[1-(1H-inden-1-yl)butyl]-dimethylsilane has a molecular weight of 400.68 g/mol, XLogP of 8.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(1H-inden-1-yl)butyl]-dimethylsilane is sourced from PubChem (CID 23131966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).