trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane

C17H24Si2 — CID 11140646

IUPACtrimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C17H24Si2/c1-18(2,3)11-9-16-14-7-8-15(13-14)17(16)10-12-19(4,5)6/h7-8,14-15H,13H2,1-6H3/t14-,15+
InChIKeyCWVPTALWUWPCJV-GASCZTMLSA-N
MW284.55 g/mol
LogP4.25
Rot. Bonds

About trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane

trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane (PubChem CID 11140646) has the molecular formula C17H24Si2 and a molecular weight of 284.55 g/mol. Its IUPAC name is trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane
PubChem CID11140646
Molecular FormulaC17H24Si2
Molecular Weight284.55 g/mol
Exact Mass284.14
IUPAC Nametrimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C17H24Si2/c1-18(2,3)11-9-16-14-7-8-15(13-14)17(16)10-12-19(4,5)6/h7-8,14-15H,13H2,1-6H3/t14-,15+
InChIKeyCWVPTALWUWPCJV-GASCZTMLSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 54.25
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane (CID 11140646) is trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane is C[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane?
The InChIKey is CWVPTALWUWPCJV-GASCZTMLSA-N. The full InChI is InChI=1S/C17H24Si2/c1-18(2,3)11-9-16-14-7-8-15(13-14)17(16)10-12-19(4,5)6/h7-8,14-15H,13H2,1-6H3/t14-,15+.
What are the key properties of trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane?
trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane has a molecular weight of 284.55 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(1S,4R)-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethynyl]silane is sourced from PubChem (CID 11140646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).