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

C20H40Si3 — CID 553322

IUPAC2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](C)(CCC[Si](C)(C)C)C1=CC2C=CC1C2
InChIInChI=1S/C20H40Si3/c1-21(2,3)12-8-14-23(7,15-9-13-22(4,5)6)20-17-18-10-11-19(20)16-18/h10-11,17-19H,8-9,12-16H2,1-7H3
InChIKeyZYVSWXOBWTYCDA-UHFFFAOYSA-N
MW364.80 g/mol
LogP7.19
Rot. Bonds9

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

2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane (PubChem CID 553322) has the molecular formula C20H40Si3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane
PubChem CID553322
Molecular FormulaC20H40Si3
Molecular Weight364.80 g/mol
Exact Mass364.24
IUPAC Name2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](C)(CCC[Si](C)(C)C)C1=CC2C=CC1C2
InChIInChI=1S/C20H40Si3/c1-21(2,3)12-8-14-23(7,15-9-13-22(4,5)6)20-17-18-10-11-19(20)16-18/h10-11,17-19H,8-9,12-16H2,1-7H3
InChIKeyZYVSWXOBWTYCDA-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.80
LogP ≤ 57.19
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-methyl-bis(3-trimethylsilylpropyl)silane?
The IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane (CID 553322) is 2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane is C[Si](C)(C)CCC[Si](C)(CCC[Si](C)(C)C)C1=CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane?
The InChIKey is ZYVSWXOBWTYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40Si3/c1-21(2,3)12-8-14-23(7,15-9-13-22(4,5)6)20-17-18-10-11-19(20)16-18/h10-11,17-19H,8-9,12-16H2,1-7H3.
What are the key properties of 2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane?
2-bicyclo[2.2.1]hepta-2,5-dienyl-methyl-bis(3-trimethylsilylpropyl)silane has a molecular weight of 364.80 g/mol, XLogP of 7.19, 9 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-methyl-bis(3-trimethylsilylpropyl)silane is sourced from PubChem (CID 553322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).