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

C33H46Si — CID 59972142

IUPACethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESCC[Si](C)(C1CCC2C(c3ccccc3)CCCC21)C1CCC2C(c3ccccc3)CCCC21
InChIInChI=1S/C33H46Si/c1-3-34(2,32-22-20-28-26(16-10-18-30(28)32)24-12-6-4-7-13-24)33-23-21-29-27(17-11-19-31(29)33)25-14-8-5-9-15-25/h4-9,12-15,26-33H,3,10-11,16-23H2,1-2H3
InChIKeyCRENORDYLTVRTG-UHFFFAOYSA-N
MW470.82 g/mol
LogP9.81
Rot. Bonds5

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

ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (PubChem CID 59972142) has the molecular formula C33H46Si and a molecular weight of 470.82 g/mol. Its IUPAC name is ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Nameethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
PubChem CID59972142
Molecular FormulaC33H46Si
Molecular Weight470.82 g/mol
Exact Mass470.34
IUPAC Nameethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESCC[Si](C)(C1CCC2C(c3ccccc3)CCCC21)C1CCC2C(c3ccccc3)CCCC21
InChIInChI=1S/C33H46Si/c1-3-34(2,32-22-20-28-26(16-10-18-30(28)32)24-12-6-4-7-13-24)33-23-21-29-27(17-11-19-31(29)33)25-14-8-5-9-15-25/h4-9,12-15,26-33H,3,10-11,16-23H2,1-2H3
InChIKeyCRENORDYLTVRTG-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.82
LogP ≤ 59.81
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 ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The IUPAC name of ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (CID 59972142) is ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.
What is the SMILES notation for ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The canonical SMILES for ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is CC[Si](C)(C1CCC2C(c3ccccc3)CCCC21)C1CCC2C(c3ccccc3)CCCC21.
What is the InChIKey of ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The InChIKey is CRENORDYLTVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46Si/c1-3-34(2,32-22-20-28-26(16-10-18-30(28)32)24-12-6-4-7-13-24)33-23-21-29-27(17-11-19-31(29)33)25-14-8-5-9-15-25/h4-9,12-15,26-33H,3,10-11,16-23H2,1-2H3.
What are the key properties of ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane has a molecular weight of 470.82 g/mol, XLogP of 9.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 59972142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).