diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane

C32H40Si — CID 139672592

IUPACdiethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCC[Si](CC)(C1C=C(c2ccccc2)C=C1C(C)C)C1C=C(c2ccccc2)C=C1C(C)C
InChIInChI=1S/C32H40Si/c1-7-33(8-2,31-21-27(19-29(31)23(3)4)25-15-11-9-12-16-25)32-22-28(20-30(32)24(5)6)26-17-13-10-14-18-26/h9-24,31-32H,7-8H2,1-6H3
InChIKeyWDQJKXXDCHMGBL-UHFFFAOYSA-N
MW452.76 g/mol
LogP9.57
Rot. Bonds8

About diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane

diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139672592) has the molecular formula C32H40Si and a molecular weight of 452.76 g/mol. Its IUPAC name is diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namediethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139672592
Molecular FormulaC32H40Si
Molecular Weight452.76 g/mol
Exact Mass452.29
IUPAC Namediethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCC[Si](CC)(C1C=C(c2ccccc2)C=C1C(C)C)C1C=C(c2ccccc2)C=C1C(C)C
InChIInChI=1S/C32H40Si/c1-7-33(8-2,31-21-27(19-29(31)23(3)4)25-15-11-9-12-16-25)32-22-28(20-30(32)24(5)6)26-17-13-10-14-18-26/h9-24,31-32H,7-8H2,1-6H3
InChIKeyWDQJKXXDCHMGBL-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 59.57
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 diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (CID 139672592) is diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is CC[Si](CC)(C1C=C(c2ccccc2)C=C1C(C)C)C1C=C(c2ccccc2)C=C1C(C)C.
What is the InChIKey of diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is WDQJKXXDCHMGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40Si/c1-7-33(8-2,31-21-27(19-29(31)23(3)4)25-15-11-9-12-16-25)32-22-28(20-30(32)24(5)6)26-17-13-10-14-18-26/h9-24,31-32H,7-8H2,1-6H3.
What are the key properties of diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 452.76 g/mol, XLogP of 9.57, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139672592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).