2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

C30H50O8Si2 — CID 11135721

IUPAC2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESCOCCOCCOCCOc1cc(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)cc1OCCOCCOCCOC
InChIInChI=1S/C30H50O8Si2/c1-31-11-13-33-15-17-35-19-21-37-29-25-27(9-23-39(3,4)5)28(10-24-40(6,7)8)26-30(29)38-22-20-36-18-16-34-14-12-32-2/h25-26H,11-22H2,1-8H3
InChIKeyVFGWVPUQBZGLEU-UHFFFAOYSA-N
MW594.89 g/mol
LogP4.26
Rot. Bonds20

About 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (PubChem CID 11135721) has the molecular formula C30H50O8Si2 and a molecular weight of 594.89 g/mol. Its IUPAC name is 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
PubChem CID11135721
Molecular FormulaC30H50O8Si2
Molecular Weight594.89 g/mol
Exact Mass594.30
IUPAC Name2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESCOCCOCCOCCOc1cc(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)cc1OCCOCCOCCOC
InChIInChI=1S/C30H50O8Si2/c1-31-11-13-33-15-17-35-19-21-37-29-25-27(9-23-39(3,4)5)28(10-24-40(6,7)8)26-30(29)38-22-20-36-18-16-34-14-12-32-2/h25-26H,11-22H2,1-8H3
InChIKeyVFGWVPUQBZGLEU-UHFFFAOYSA-N
XLogP4.26
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.89
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2,5-dipropoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 11132838
2-[2,5-didodecoxy-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 25231751
4-[2-[5-[2-[2-[2-[4,5-bis[2-(4-cyanophenyl)ethynyl]-2-methoxyphenyl]ethynyl]-4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]-2-[2-(4-cyanophenyl)ethynyl]-4-methoxyphenyl]ethynyl]benzonitrile
CID 11136973
1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
2,3-bis[2-(2-methoxyethoxy)ethoxy]phenazine
CID 156904974
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoate
CID 102463340
2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane
CID 53486603
tert-butyl 4-[2-[4-methoxy-5-[2-[2-[2-[2-methoxy-4,5-bis[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]phenyl]ethynyl]-4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]phenyl]ethynyl]benzoate
CID 11768457
3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol
CID 170966287
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (CID 11135721) is 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is COCCOCCOCCOc1cc(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)cc1OCCOCCOCCOC.
What is the InChIKey of 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is VFGWVPUQBZGLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O8Si2/c1-31-11-13-33-15-17-35-19-21-37-29-25-27(9-23-39(3,4)5)28(10-24-40(6,7)8)26-30(29)38-22-20-36-18-16-34-14-12-32-2/h25-26H,11-22H2,1-8H3.
What are the key properties of 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 594.89 g/mol, XLogP of 4.26, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 11135721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).