2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane

C24H30OSi2 — CID 139701838

IUPAC2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane
SMILESC#Cc1ccccc1CC[Si](C)(C)O[Si](C)(C)CCc1ccccc1C#C
InChIInChI=1S/C24H30OSi2/c1-7-21-13-9-11-15-23(21)17-19-26(3,4)25-27(5,6)20-18-24-16-12-10-14-22(24)8-2/h1-2,9-16H,17-20H2,3-6H3
InChIKeyAZZXESIOLXXZDF-UHFFFAOYSA-N
MW390.68 g/mol
LogP5.86
Rot. Bonds8

About 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane

2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane (PubChem CID 139701838) has the molecular formula C24H30OSi2 and a molecular weight of 390.68 g/mol. Its IUPAC name is 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Name2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane
PubChem CID139701838
Molecular FormulaC24H30OSi2
Molecular Weight390.68 g/mol
Exact Mass390.18
IUPAC Name2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane
SMILESC#Cc1ccccc1CC[Si](C)(C)O[Si](C)(C)CCc1ccccc1C#C
InChIInChI=1S/C24H30OSi2/c1-7-21-13-9-11-15-23(21)17-19-26(3,4)25-27(5,6)20-18-24-16-12-10-14-22(24)8-2/h1-2,9-16H,17-20H2,3-6H3
InChIKeyAZZXESIOLXXZDF-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane (CID 139701838) is 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane is C#Cc1ccccc1CC[Si](C)(C)O[Si](C)(C)CCc1ccccc1C#C.
What is the InChIKey of 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is AZZXESIOLXXZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30OSi2/c1-7-21-13-9-11-15-23(21)17-19-26(3,4)25-27(5,6)20-18-24-16-12-10-14-22(24)8-2/h1-2,9-16H,17-20H2,3-6H3.
What are the key properties of 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane?
2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 390.68 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 139701838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).