butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane

C35H46Si — CID 21338125

IUPACbutyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane
SMILESCCCC[Si](C)(C1CCC2=C1CCCC2c1ccccc1)C1CCC2=C1CCCC2c1ccccc1
InChIInChI=1S/C35H46Si/c1-3-4-25-36(2,34-23-21-30-28(17-11-19-32(30)34)26-13-7-5-8-14-26)35-24-22-31-29(18-12-20-33(31)35)27-15-9-6-10-16-27/h5-10,13-16,28-29,34-35H,3-4,11-12,17-25H2,1-2H3
InChIKeyHSNFXIPJBQHYOC-UHFFFAOYSA-N
MW494.84 g/mol
LogP10.72
Rot. Bonds7

About butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane

butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane (PubChem CID 21338125) has the molecular formula C35H46Si and a molecular weight of 494.84 g/mol. Its IUPAC name is butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Namebutyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane
PubChem CID21338125
Molecular FormulaC35H46Si
Molecular Weight494.84 g/mol
Exact Mass494.34
IUPAC Namebutyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane
SMILESCCCC[Si](C)(C1CCC2=C1CCCC2c1ccccc1)C1CCC2=C1CCCC2c1ccccc1
InChIInChI=1S/C35H46Si/c1-3-4-25-36(2,34-23-21-30-28(17-11-19-32(30)34)26-13-7-5-8-14-26)35-24-22-31-29(18-12-20-33(31)35)27-15-9-6-10-16-27/h5-10,13-16,28-29,34-35H,3-4,11-12,17-25H2,1-2H3
InChIKeyHSNFXIPJBQHYOC-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.84
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane?
The IUPAC name of butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane (CID 21338125) is butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane.
What is the SMILES notation for butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane?
The canonical SMILES for butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane is CCCC[Si](C)(C1CCC2=C1CCCC2c1ccccc1)C1CCC2=C1CCCC2c1ccccc1.
What is the InChIKey of butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane?
The InChIKey is HSNFXIPJBQHYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46Si/c1-3-4-25-36(2,34-23-21-30-28(17-11-19-32(30)34)26-13-7-5-8-14-26)35-24-22-31-29(18-12-20-33(31)35)27-15-9-6-10-16-27/h5-10,13-16,28-29,34-35H,3-4,11-12,17-25H2,1-2H3.
What are the key properties of butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane?
butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane has a molecular weight of 494.84 g/mol, XLogP of 10.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-bis(4-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 21338125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).