2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane

C13H22Si — CID 68608975

IUPAC2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane
SMILESCC1=C(C#C[Si](C)(C)C)C(C)CCC1
InChIInChI=1S/C13H22Si/c1-11-7-6-8-12(2)13(11)9-10-14(3,4)5/h11H,6-8H2,1-5H3
InChIKeyJKYZIGFPDGGCOE-UHFFFAOYSA-N
MW206.40 g/mol
LogP4.00
Rot. Bonds

About 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane

2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane (PubChem CID 68608975) has the molecular formula C13H22Si and a molecular weight of 206.40 g/mol. Its IUPAC name is 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane
PubChem CID68608975
Molecular FormulaC13H22Si
Molecular Weight206.40 g/mol
Exact Mass206.15
IUPAC Name2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane
SMILESCC1=C(C#C[Si](C)(C)C)C(C)CCC1
InChIInChI=1S/C13H22Si/c1-11-7-6-8-12(2)13(11)9-10-14(3,4)5/h11H,6-8H2,1-5H3
InChIKeyJKYZIGFPDGGCOE-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.40
LogP ≤ 54.00
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-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane (CID 68608975) is 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane is CC1=C(C#C[Si](C)(C)C)C(C)CCC1.
What is the InChIKey of 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane?
The InChIKey is JKYZIGFPDGGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Si/c1-11-7-6-8-12(2)13(11)9-10-14(3,4)5/h11H,6-8H2,1-5H3.
What are the key properties of 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane?
2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane has a molecular weight of 206.40 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylcyclohexen-1-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 68608975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).