ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole

C24H34Si — CID 163897080

IUPACethane;1,1,2,5-tetramethyl-3,4-diphenylsilole
SMILESCC.CC.CC1=C(c2ccccc2)C(c2ccccc2)=C(C)[Si]1(C)C
InChIInChI=1S/C20H22Si.2C2H6/c1-15-19(17-11-7-5-8-12-17)20(16(2)21(15,3)4)18-13-9-6-10-14-18;2*1-2/h5-14H,1-4H3;2*1-2H3
InChIKeyQGPBOMVFDYZKHB-UHFFFAOYSA-N
MW350.62 g/mol
LogP7.79
Rot. Bonds2

About ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole

ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole (PubChem CID 163897080) has the molecular formula C24H34Si and a molecular weight of 350.62 g/mol. Its IUPAC name is ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole.

Molecular Properties

Compound Nameethane;1,1,2,5-tetramethyl-3,4-diphenylsilole
PubChem CID163897080
Molecular FormulaC24H34Si
Molecular Weight350.62 g/mol
Exact Mass350.24
IUPAC Nameethane;1,1,2,5-tetramethyl-3,4-diphenylsilole
SMILESCC.CC.CC1=C(c2ccccc2)C(c2ccccc2)=C(C)[Si]1(C)C
InChIInChI=1S/C20H22Si.2C2H6/c1-15-19(17-11-7-5-8-12-17)20(16(2)21(15,3)4)18-13-9-6-10-14-18;2*1-2/h5-14H,1-4H3;2*1-2H3
InChIKeyQGPBOMVFDYZKHB-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 57.79
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 ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole?
The IUPAC name of ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole (CID 163897080) is ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole.
What is the SMILES notation for ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole?
The canonical SMILES for ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole is CC.CC.CC1=C(c2ccccc2)C(c2ccccc2)=C(C)[Si]1(C)C.
What is the InChIKey of ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole?
The InChIKey is QGPBOMVFDYZKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Si.2C2H6/c1-15-19(17-11-7-5-8-12-17)20(16(2)21(15,3)4)18-13-9-6-10-14-18;2*1-2/h5-14H,1-4H3;2*1-2H3.
What are the key properties of ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole?
ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole has a molecular weight of 350.62 g/mol, XLogP of 7.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole is sourced from PubChem (CID 163897080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).