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

C19H37ClSi3 — CID 548735

IUPAC2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](Cl)(CCC[Si](C)(C)C)C1=CC2C=CC1C2
InChIInChI=1S/C19H37ClSi3/c1-21(2,3)11-7-13-23(20,14-8-12-22(4,5)6)19-16-17-9-10-18(19)15-17/h9-10,16-18H,7-8,11-15H2,1-6H3
InChIKeyCUEYHJBANMSYKE-UHFFFAOYSA-N
MW385.22 g/mol
LogP7.30
Rot. Bonds9

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

2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane (PubChem CID 548735) has the molecular formula C19H37ClSi3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane
PubChem CID548735
Molecular FormulaC19H37ClSi3
Molecular Weight385.22 g/mol
Exact Mass384.19
IUPAC Name2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](Cl)(CCC[Si](C)(C)C)C1=CC2C=CC1C2
InChIInChI=1S/C19H37ClSi3/c1-21(2,3)11-7-13-23(20,14-8-12-22(4,5)6)19-16-17-9-10-18(19)15-17/h9-10,16-18H,7-8,11-15H2,1-6H3
InChIKeyCUEYHJBANMSYKE-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.22
LogP ≤ 57.30
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

2-Trimethylsilylbicyclo [2.2.1]-hept-2,5-diene
CID 12578034
2-Dimethylsilylbicyclo[2.2.1]hept-2,5-diene
CID 22335962
triethyl-[(6E)-10-methylundeca-1,6-dien-3-yl]silane
CID 101127398
Bicyclo[2.2.1]hepta-2,5-diene;bis(ethenyl-methanidyl-dimethylsilane);platinum(2+)
CID 134888512
2-Dichloro(3-trimethylsilylpropyl)silylnorbornadiene
CID 548736
1,3-Dibicyclo[2.2.1]hepta-2,5-dien-2-yl-1,3-dichloro-1,3-bis[3-(trimethylsilyl)propyl]disiloxane
CID 552310
2-Methylbis(3-trimethylsilylpropyl)silylnorbornadiene
CID 553322
2-Dimethyl(3-trimethylsilylpropyl)silylnorbornadiene
CID 591316
2-Tris(3-trimethylsilylpropyl)norbornadiene
CID 597990
[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]-trimethylsilane
CID 10986597
(Bicyclo[2.2.1]hepta-2,5-diene-2,3-diyl)bis(trimethylsilane)
CID 71362852
[(1S,4R)-4-methylcyclohex-2-en-1-yl]-tri(propan-2-yl)silane
CID 58105878

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane?
The IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane (CID 548735) is 2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane is C[Si](C)(C)CCC[Si](Cl)(CCC[Si](C)(C)C)C1=CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane?
The InChIKey is CUEYHJBANMSYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37ClSi3/c1-21(2,3)11-7-13-23(20,14-8-12-22(4,5)6)19-16-17-9-10-18(19)15-17/h9-10,16-18H,7-8,11-15H2,1-6H3.
What are the key properties of 2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane?
2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-bis(3-trimethylsilylpropyl)silane has a molecular weight of 385.22 g/mol, XLogP of 7.30, 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-chloro-bis(3-trimethylsilylpropyl)silane is sourced from PubChem (CID 548735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).