bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane

C27H42Si — CID 59123722

IUPACbis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C27H42Si/c1-3-4-5-6-7-12-21-28(2,26-19-17-22-13-8-10-15-24(22)26)27-20-18-23-14-9-11-16-25(23)27/h8-11,13-16,22-27H,3-7,12,17-21H2,1-2H3
InChIKeySQDFJJLGEXEEKS-UHFFFAOYSA-N
MW394.72 g/mol
LogP8.47
Rot. Bonds9

About bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane

bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane (PubChem CID 59123722) has the molecular formula C27H42Si and a molecular weight of 394.72 g/mol. Its IUPAC name is bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane.

Molecular Properties

Compound Namebis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane
PubChem CID59123722
Molecular FormulaC27H42Si
Molecular Weight394.72 g/mol
Exact Mass394.31
IUPAC Namebis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C27H42Si/c1-3-4-5-6-7-12-21-28(2,26-19-17-22-13-8-10-15-24(22)26)27-20-18-23-14-9-11-16-25(23)27/h8-11,13-16,22-27H,3-7,12,17-21H2,1-2H3
InChIKeySQDFJJLGEXEEKS-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.72
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane?
The IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane (CID 59123722) is bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane.
What is the SMILES notation for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane?
The canonical SMILES for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane is CCCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.
What is the InChIKey of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane?
The InChIKey is SQDFJJLGEXEEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42Si/c1-3-4-5-6-7-12-21-28(2,26-19-17-22-13-8-10-15-24(22)26)27-20-18-23-14-9-11-16-25(23)27/h8-11,13-16,22-27H,3-7,12,17-21H2,1-2H3.
What are the key properties of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane?
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane has a molecular weight of 394.72 g/mol, XLogP of 8.47, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-octylsilane is sourced from PubChem (CID 59123722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).