2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane

C11H18Si — CID 15050662

IUPAC2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane
SMILESC#C[Si](C)(C)C1CC2CCC1C2
InChIInChI=1S/C11H18Si/c1-4-12(2,3)11-8-9-5-6-10(11)7-9/h1,9-11H,5-8H2,2-3H3
InChIKeyGTMUKPUTQQPNIN-UHFFFAOYSA-N
MW178.35 g/mol
LogP3.06
Rot. Bonds1

About 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane

2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane (PubChem CID 15050662) has the molecular formula C11H18Si and a molecular weight of 178.35 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane
PubChem CID15050662
Molecular FormulaC11H18Si
Molecular Weight178.35 g/mol
Exact Mass178.12
IUPAC Name2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane
SMILESC#C[Si](C)(C)C1CC2CCC1C2
InChIInChI=1S/C11H18Si/c1-4-12(2,3)11-8-9-5-6-10(11)7-9/h1,9-11H,5-8H2,2-3H3
InChIKeyGTMUKPUTQQPNIN-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane (CID 15050662) is 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane is C#C[Si](C)(C)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane?
The InChIKey is GTMUKPUTQQPNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Si/c1-4-12(2,3)11-8-9-5-6-10(11)7-9/h1,9-11H,5-8H2,2-3H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane?
2-bicyclo[2.2.1]heptanyl-ethynyl-dimethylsilane has a molecular weight of 178.35 g/mol, XLogP of 3.06, 1 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]heptanyl-ethynyl-dimethylsilane is sourced from PubChem (CID 15050662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).