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

C13H22Cl2Si2 — CID 548736

IUPAC2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](Cl)(Cl)C1=CC2C=CC1C2
InChIInChI=1S/C13H22Cl2Si2/c1-16(2,3)7-4-8-17(14,15)13-10-11-5-6-12(13)9-11/h5-6,10-12H,4,7-9H2,1-3H3
InChIKeySSIYTTBOYCOPAA-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.31
Rot. Bonds5

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

2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane (PubChem CID 548736) has the molecular formula C13H22Cl2Si2 and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane
PubChem CID548736
Molecular FormulaC13H22Cl2Si2
Molecular Weight305.40 g/mol
Exact Mass304.06
IUPAC Name2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](Cl)(Cl)C1=CC2C=CC1C2
InChIInChI=1S/C13H22Cl2Si2/c1-16(2,3)7-4-8-17(14,15)13-10-11-5-6-12(13)9-11/h5-6,10-12H,4,7-9H2,1-3H3
InChIKeySSIYTTBOYCOPAA-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.31
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

Chloro(2-(3-cyclohexen-1-yl)ethyl)dimethylsilane
CID 3538150
Cyclohexene, 4-(2-(dichloromethylsilyl)ethyl)-
CID 86631
Bicyclo(2.2.1)hept-2-ene, 5-(dichloromethylsilyl)-
CID 86686
2-Trimethylsilylbicyclo [2.2.1]-hept-2,5-diene
CID 12578034
2-Dimethylsilylbicyclo[2.2.1]hept-2,5-diene
CID 22335962
Bicyclo[2.2.1]hepta-2,5-diene;bis(ethenyl-methanidyl-dimethylsilane);platinum(2+)
CID 134888512
2-Chlorobis(3-trimethylsilylpropyl)silylnorbornadiene
CID 548735
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

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane?
The IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane (CID 548736) is 2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane is C[Si](C)(C)CCC[Si](Cl)(Cl)C1=CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane?
The InChIKey is SSIYTTBOYCOPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2Si2/c1-16(2,3)7-4-8-17(14,15)13-10-11-5-6-12(13)9-11/h5-6,10-12H,4,7-9H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane?
2-bicyclo[2.2.1]hepta-2,5-dienyl-dichloro-(3-trimethylsilylpropyl)silane has a molecular weight of 305.40 g/mol, XLogP of 5.31, 5 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-dichloro-(3-trimethylsilylpropyl)silane is sourced from PubChem (CID 548736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).