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

C32H60Si3 — CID 139672579

IUPACdiethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
SMILESCC[Si](CC)(CC)C1=CC([Si](CC)(CC)C2C=C([Si](CC)(CC)CC)C=C2C(C)C)C(C(C)C)=C1
InChIInChI=1S/C32H60Si3/c1-13-33(14-2,15-3)27-21-29(25(9)10)31(23-27)35(19-7,20-8)32-24-28(22-30(32)26(11)12)34(16-4,17-5)18-6/h21-26,31-32H,13-20H2,1-12H3
InChIKeyJZIOOWJFJVYIHG-UHFFFAOYSA-N
MW529.09 g/mol
LogP11.36
Rot. Bonds14

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

diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139672579) has the molecular formula C32H60Si3 and a molecular weight of 529.09 g/mol. Its IUPAC name is diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namediethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139672579
Molecular FormulaC32H60Si3
Molecular Weight529.09 g/mol
Exact Mass528.40
IUPAC Namediethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
SMILESCC[Si](CC)(CC)C1=CC([Si](CC)(CC)C2C=C([Si](CC)(CC)CC)C=C2C(C)C)C(C(C)C)=C1
InChIInChI=1S/C32H60Si3/c1-13-33(14-2,15-3)27-21-29(25(9)10)31(23-27)35(19-7,20-8)32-24-28(22-30(32)26(11)12)34(16-4,17-5)18-6/h21-26,31-32H,13-20H2,1-12H3
InChIKeyJZIOOWJFJVYIHG-UHFFFAOYSA-N
XLogP11.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.09
LogP ≤ 511.36
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(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane (CID 139672579) is diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane is CC[Si](CC)(CC)C1=CC([Si](CC)(CC)C2C=C([Si](CC)(CC)CC)C=C2C(C)C)C(C(C)C)=C1.
What is the InChIKey of diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is JZIOOWJFJVYIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60Si3/c1-13-33(14-2,15-3)27-21-29(25(9)10)31(23-27)35(19-7,20-8)32-24-28(22-30(32)26(11)12)34(16-4,17-5)18-6/h21-26,31-32H,13-20H2,1-12H3.
What are the key properties of diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane?
diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 529.09 g/mol, XLogP of 11.36, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139672579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).