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

C15H28Si2 — CID 591316

IUPAC2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](C)(C)C1=CC2C=CC1C2
InChIInChI=1S/C15H28Si2/c1-16(2,3)9-6-10-17(4,5)15-12-13-7-8-14(15)11-13/h7-8,12-14H,6,9-11H2,1-5H3
InChIKeyNQSBJLNTFCDEQP-UHFFFAOYSA-N
MW264.56 g/mol
LogP5.09
Rot. Bonds5

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

2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane (PubChem CID 591316) has the molecular formula C15H28Si2 and a molecular weight of 264.56 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane
PubChem CID591316
Molecular FormulaC15H28Si2
Molecular Weight264.56 g/mol
Exact Mass264.17
IUPAC Name2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane
SMILESC[Si](C)(C)CCC[Si](C)(C)C1=CC2C=CC1C2
InChIInChI=1S/C15H28Si2/c1-16(2,3)9-6-10-17(4,5)15-12-13-7-8-14(15)11-13/h7-8,12-14H,6,9-11H2,1-5H3
InChIKeyNQSBJLNTFCDEQP-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.56
LogP ≤ 55.09
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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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane?
The IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane (CID 591316) is 2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane is C[Si](C)(C)CCC[Si](C)(C)C1=CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane?
The InChIKey is NQSBJLNTFCDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28Si2/c1-16(2,3)9-6-10-17(4,5)15-12-13-7-8-14(15)11-13/h7-8,12-14H,6,9-11H2,1-5H3.
What are the key properties of 2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane?
2-bicyclo[2.2.1]hepta-2,5-dienyl-dimethyl-(3-trimethylsilylpropyl)silane has a molecular weight of 264.56 g/mol, XLogP of 5.09, 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-dimethyl-(3-trimethylsilylpropyl)silane is sourced from PubChem (CID 591316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).