trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane

C16H20Si — CID 101413061

IUPACtrimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane
SMILESC[Si](C)(C)C#CC1CC2CC1c1ccccc12
InChIInChI=1S/C16H20Si/c1-17(2,3)9-8-12-10-13-11-16(12)15-7-5-4-6-14(13)15/h4-7,12-13,16H,10-11H2,1-3H3
InChIKeyDZHBBXUNVYBJOE-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.16
Rot. Bonds

About trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane

trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane (PubChem CID 101413061) has the molecular formula C16H20Si and a molecular weight of 240.42 g/mol. Its IUPAC name is trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane
PubChem CID101413061
Molecular FormulaC16H20Si
Molecular Weight240.42 g/mol
Exact Mass240.13
IUPAC Nametrimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane
SMILESC[Si](C)(C)C#CC1CC2CC1c1ccccc12
InChIInChI=1S/C16H20Si/c1-17(2,3)9-8-12-10-13-11-16(12)15-7-5-4-6-14(13)15/h4-7,12-13,16H,10-11H2,1-3H3
InChIKeyDZHBBXUNVYBJOE-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.16
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 trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane (CID 101413061) is trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane is C[Si](C)(C)C#CC1CC2CC1c1ccccc12.
What is the InChIKey of trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane?
The InChIKey is DZHBBXUNVYBJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Si/c1-17(2,3)9-8-12-10-13-11-16(12)15-7-5-4-6-14(13)15/h4-7,12-13,16H,10-11H2,1-3H3.
What are the key properties of trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane?
trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane has a molecular weight of 240.42 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethynyl]silane is sourced from PubChem (CID 101413061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).