2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane

C22H28O2Si2 — CID 169050071

IUPAC2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
SMILESCOc1cc2cc(OC)c(C#C[Si](C)(C)C)cc2cc1C#C[Si](C)(C)C
InChIInChI=1S/C22H28O2Si2/c1-23-21-15-20-16-22(24-2)18(10-12-26(6,7)8)14-19(20)13-17(21)9-11-25(3,4)5/h13-16H,1-8H3
InChIKeyOKRKOPYJPLQJGD-UHFFFAOYSA-N
MW380.64 g/mol
LogP5.31
Rot. Bonds2

About 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane

2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane (PubChem CID 169050071) has the molecular formula C22H28O2Si2 and a molecular weight of 380.64 g/mol. Its IUPAC name is 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
PubChem CID169050071
Molecular FormulaC22H28O2Si2
Molecular Weight380.64 g/mol
Exact Mass380.16
IUPAC Name2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
SMILESCOc1cc2cc(OC)c(C#C[Si](C)(C)C)cc2cc1C#C[Si](C)(C)C
InChIInChI=1S/C22H28O2Si2/c1-23-21-15-20-16-22(24-2)18(10-12-26(6,7)8)14-19(20)13-17(21)9-11-25(3,4)5/h13-16H,1-8H3
InChIKeyOKRKOPYJPLQJGD-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.64
LogP ≤ 55.31
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 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane (CID 169050071) is 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane is COc1cc2cc(OC)c(C#C[Si](C)(C)C)cc2cc1C#C[Si](C)(C)C.
What is the InChIKey of 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane?
The InChIKey is OKRKOPYJPLQJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2Si2/c1-23-21-15-20-16-22(24-2)18(10-12-26(6,7)8)14-19(20)13-17(21)9-11-25(3,4)5/h13-16H,1-8H3.
What are the key properties of 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane?
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane has a molecular weight of 380.64 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 169050071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).