methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate

C24H18O4Si — CID 166636939

IUPACmethyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate
SMILESCOC(=O)c1ccc(C#C[Si](c2ccccc2)(c2ccco2)c2ccco2)cc1
InChIInChI=1S/C24H18O4Si/c1-26-24(25)20-13-11-19(12-14-20)15-18-29(22-9-5-16-27-22,23-10-6-17-28-23)21-7-3-2-4-8-21/h2-14,16-17H,1H3
InChIKeyAGMUZZYIOKWLIZ-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.72
Rot. Bonds4

About methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate

methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate (PubChem CID 166636939) has the molecular formula C24H18O4Si and a molecular weight of 398.49 g/mol. Its IUPAC name is methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate
PubChem CID166636939
Molecular FormulaC24H18O4Si
Molecular Weight398.49 g/mol
Exact Mass398.10
IUPAC Namemethyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate
SMILESCOC(=O)c1ccc(C#C[Si](c2ccccc2)(c2ccco2)c2ccco2)cc1
InChIInChI=1S/C24H18O4Si/c1-26-24(25)20-13-11-19(12-14-20)15-18-29(22-9-5-16-27-22,23-10-6-17-28-23)21-7-3-2-4-8-21/h2-14,16-17H,1H3
InChIKeyAGMUZZYIOKWLIZ-UHFFFAOYSA-N
XLogP2.72
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-tri(propan-2-yl)silylethynyl]benzoate
CID 162416896
methyl 4-[2-[3,5-bis[2-(4-methoxycarbonylphenyl)ethynyl]phenyl]ethynyl]benzoate
CID 67068299
methyl 4-[2-(2-formamidophenyl)ethynyl]benzoate
CID 44521601
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl 3-methyl-4-(2-phenylethynyl)benzoate
CID 122226326
methyl 4-(2-pyridin-3-ylethynyl)benzoate
CID 15898469
methyl 4-[2-[2-(3-bromoprop-1-ynyl)phenyl]ethynyl]benzoate
CID 170457195
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
methyl 4-buta-1,3-diynylbenzoate
CID 15492919
methyl 4-(2-bromoethynyl)benzoate;propan-2-one
CID 153322482

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate?
The IUPAC name of methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate (CID 166636939) is methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate.
What is the SMILES notation for methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate?
The canonical SMILES for methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate is COC(=O)c1ccc(C#C[Si](c2ccccc2)(c2ccco2)c2ccco2)cc1.
What is the InChIKey of methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate?
The InChIKey is AGMUZZYIOKWLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4Si/c1-26-24(25)20-13-11-19(12-14-20)15-18-29(22-9-5-16-27-22,23-10-6-17-28-23)21-7-3-2-4-8-21/h2-14,16-17H,1H3.
What are the key properties of methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate?
methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate has a molecular weight of 398.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[bis(furan-2-yl)-phenylsilyl]ethynyl]benzoate is sourced from PubChem (CID 166636939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).