2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane

C25H52Si4 — CID 597990

IUPAC2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](CCC[Si](C)(C)C)(CCC[Si](C)(C)C)C1=CC2C=CC1C2
InChIInChI=1S/C25H52Si4/c1-26(2,3)15-10-18-29(19-11-16-27(4,5)6,20-12-17-28(7,8)9)25-22-23-13-14-24(25)21-23/h13-14,22-24H,10-12,15-21H2,1-9H3
InChIKeyZKMDYEOMPZEWSX-UHFFFAOYSA-N
MW465.04 g/mol
LogP9.29
Rot. Bonds13

About 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane

2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane (PubChem CID 597990) has the molecular formula C25H52Si4 and a molecular weight of 465.04 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane
PubChem CID597990
Molecular FormulaC25H52Si4
Molecular Weight465.04 g/mol
Exact Mass464.31
IUPAC Name2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](CCC[Si](C)(C)C)(CCC[Si](C)(C)C)C1=CC2C=CC1C2
InChIInChI=1S/C25H52Si4/c1-26(2,3)15-10-18-29(19-11-16-27(4,5)6,20-12-17-28(7,8)9)25-22-23-13-14-24(25)21-23/h13-14,22-24H,10-12,15-21H2,1-9H3
InChIKeyZKMDYEOMPZEWSX-UHFFFAOYSA-N
XLogP9.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Trimethylsilylbicyclo [2.2.1]-hept-2,5-diene
CID 12578034
5-(1,1,3,3-Tetramethyl-1,3-disilabutyl)norbornene
CID 20603617
5,6-Bis(tri-methylsilyl)norbornene
CID 101349230
2-Dimethylsilylbicyclo[2.2.1]hept-2,5-diene
CID 22335962
triethyl-[(6E)-10-methylundeca-1,6-dien-3-yl]silane
CID 101127398
5,5-Bis(trimethylsilyl)norbornene
CID 102391223
(4-Methylcyclohexen-1-yl)-tri(propan-2-yl)silane
CID 134877706
Bicyclo[2.2.1]hepta-2,5-diene;bis(ethenyl-methanidyl-dimethylsilane);platinum(2+)
CID 134888512
(4-Ethylcyclohexen-1-yl)-tri(propan-2-yl)silane
CID 134895728
2-Chlorobis(3-trimethylsilylpropyl)silylnorbornadiene
CID 548735
2-Dichloro(3-trimethylsilylpropyl)silylnorbornadiene
CID 548736
1,4-Cyclohexadiene, 6-isopropenyl-2,4-dimethyl-1,3-bis(trimethylsilyl)-
CID 553227

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane?
The IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane (CID 597990) is 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane is C[Si](C)(C)CCC[Si](CCC[Si](C)(C)C)(CCC[Si](C)(C)C)C1=CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane?
The InChIKey is ZKMDYEOMPZEWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52Si4/c1-26(2,3)15-10-18-29(19-11-16-27(4,5)6,20-12-17-28(7,8)9)25-22-23-13-14-24(25)21-23/h13-14,22-24H,10-12,15-21H2,1-9H3.
What are the key properties of 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane?
2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane has a molecular weight of 465.04 g/mol, XLogP of 9.29, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hepta-2,5-dienyl-tris(3-trimethylsilylpropyl)silane is sourced from PubChem (CID 597990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).