dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane

C32H44Si — CID 165155308

IUPACdimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESC[Si](C)(C1CCC2C(c3ccccc3)CCCC21)C1CCC2C(c3ccccc3)CCCC21
InChIInChI=1S/C32H44Si/c1-33(2,31-21-19-27-25(15-9-17-29(27)31)23-11-5-3-6-12-23)32-22-20-28-26(16-10-18-30(28)32)24-13-7-4-8-14-24/h3-8,11-14,25-32H,9-10,15-22H2,1-2H3
InChIKeyNXHKJUHYIQZBDD-UHFFFAOYSA-N
MW456.79 g/mol
LogP9.42
Rot. Bonds4

About dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane

dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (PubChem CID 165155308) has the molecular formula C32H44Si and a molecular weight of 456.79 g/mol. Its IUPAC name is dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
PubChem CID165155308
Molecular FormulaC32H44Si
Molecular Weight456.79 g/mol
Exact Mass456.32
IUPAC Namedimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESC[Si](C)(C1CCC2C(c3ccccc3)CCCC21)C1CCC2C(c3ccccc3)CCCC21
InChIInChI=1S/C32H44Si/c1-33(2,31-21-19-27-25(15-9-17-29(27)31)23-11-5-3-6-12-23)32-22-20-28-26(16-10-18-30(28)32)24-13-7-4-8-14-24/h3-8,11-14,25-32H,9-10,15-22H2,1-2H3
InChIKeyNXHKJUHYIQZBDD-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.79
LogP ≤ 59.42
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 dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The IUPAC name of dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (CID 165155308) is dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.
What is the SMILES notation for dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The canonical SMILES for dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is C[Si](C)(C1CCC2C(c3ccccc3)CCCC21)C1CCC2C(c3ccccc3)CCCC21.
What is the InChIKey of dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The InChIKey is NXHKJUHYIQZBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44Si/c1-33(2,31-21-19-27-25(15-9-17-29(27)31)23-11-5-3-6-12-23)32-22-20-28-26(16-10-18-30(28)32)24-13-7-4-8-14-24/h3-8,11-14,25-32H,9-10,15-22H2,1-2H3.
What are the key properties of dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane has a molecular weight of 456.79 g/mol, XLogP of 9.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 165155308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).