2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane

C14H20O2Si — CID 15478527

IUPAC2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane
SMILESCOC(OC)c1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C14H20O2Si/c1-15-14(16-2)13-9-7-6-8-12(13)10-11-17(3,4)5/h6-9,14H,1-5H3
InChIKeySZQXXWVWMDFBEW-UHFFFAOYSA-N
MW248.40 g/mol
LogP3.21
Rot. Bonds3

About 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane

2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane (PubChem CID 15478527) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane
PubChem CID15478527
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane
SMILESCOC(OC)c1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C14H20O2Si/c1-15-14(16-2)13-9-7-6-8-12(13)10-11-17(3,4)5/h6-9,14H,1-5H3
InChIKeySZQXXWVWMDFBEW-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane (CID 15478527) is 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane is COC(OC)c1ccccc1C#C[Si](C)(C)C.
What is the InChIKey of 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is SZQXXWVWMDFBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-15-14(16-2)13-9-7-6-8-12(13)10-11-17(3,4)5/h6-9,14H,1-5H3.
What are the key properties of 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane?
2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 248.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 15478527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).