trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane

C19H26O2Si2 — CID 70383548

IUPACtrimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(C2(C#C[Si](C)(C)C)OCCO2)c1
InChIInChI=1S/C19H26O2Si2/c1-22(2,3)14-10-17-8-7-9-18(16-17)19(20-12-13-21-19)11-15-23(4,5)6/h7-9,16H,12-13H2,1-6H3
InChIKeyLXXNUURAKXODSJ-UHFFFAOYSA-N
MW342.59 g/mol
LogP4.00
Rot. Bonds1

About trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane

trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane (PubChem CID 70383548) has the molecular formula C19H26O2Si2 and a molecular weight of 342.59 g/mol. Its IUPAC name is trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane
PubChem CID70383548
Molecular FormulaC19H26O2Si2
Molecular Weight342.59 g/mol
Exact Mass342.15
IUPAC Nametrimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(C2(C#C[Si](C)(C)C)OCCO2)c1
InChIInChI=1S/C19H26O2Si2/c1-22(2,3)14-10-17-8-7-9-18(16-17)19(20-12-13-21-19)11-15-23(4,5)6/h7-9,16H,12-13H2,1-6H3
InChIKeyLXXNUURAKXODSJ-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.59
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane (CID 70383548) is trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1cccc(C2(C#C[Si](C)(C)C)OCCO2)c1.
What is the InChIKey of trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane?
The InChIKey is LXXNUURAKXODSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2Si2/c1-22(2,3)14-10-17-8-7-9-18(16-17)19(20-12-13-21-19)11-15-23(4,5)6/h7-9,16H,12-13H2,1-6H3.
What are the key properties of trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane?
trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane has a molecular weight of 342.59 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-[2-(2-trimethylsilylethynyl)-1,3-dioxolan-2-yl]phenyl]ethynyl]silane is sourced from PubChem (CID 70383548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).