methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate

C22H32O4Si — CID 58974298

IUPACmethyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate
SMILESCOC(=O)CCc1ccc(CC(O[Si](C)(C)C(C)(C)C)c2ccccc2)o1
InChIInChI=1S/C22H32O4Si/c1-22(2,3)27(5,6)26-20(17-10-8-7-9-11-17)16-19-13-12-18(25-19)14-15-21(23)24-4/h7-13,20H,14-16H2,1-6H3
InChIKeyDCIALSIGWMCHJO-UHFFFAOYSA-N
MW388.58 g/mol
LogP5.69
Rot. Bonds8

About methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate

methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate (PubChem CID 58974298) has the molecular formula C22H32O4Si and a molecular weight of 388.58 g/mol. Its IUPAC name is methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate
PubChem CID58974298
Molecular FormulaC22H32O4Si
Molecular Weight388.58 g/mol
Exact Mass388.21
IUPAC Namemethyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate
SMILESCOC(=O)CCc1ccc(CC(O[Si](C)(C)C(C)(C)C)c2ccccc2)o1
InChIInChI=1S/C22H32O4Si/c1-22(2,3)27(5,6)26-20(17-10-8-7-9-11-17)16-19-13-12-18(25-19)14-15-21(23)24-4/h7-13,20H,14-16H2,1-6H3
InChIKeyDCIALSIGWMCHJO-UHFFFAOYSA-N
XLogP5.69
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Resmethrin
CID 5053
Bioresmethrin
CID 162381
(+)-Cismethrin
CID 12708735
Ethyl 2-phenyl-3-furoate
CID 62007
3-[4-(Biphenyl-4-yloxymethyl)-5-methyl-furan-2-yl]-propionic acid
CID 18444538
Dimethyl 2-(4-methylphenyl)-3,4-furandicarboxylate
CID 878695
Diethyl 2,5-diphenyl-3,4-furandicarboxylate
CID 363404
2-Methyl-4-(2-oxo-2-phenyl-ethyl)-5-phenyl-furan-3-carboxylic acid ethyl ester (3b)
CID 102401210
(E)-5-((5-(2-methoxyphenyl)furan-2-yl)methylene)furan-2(5H)-one
CID 919893
(3Z)-3-{[5-(2-methoxyphenyl)furan-2-yl]methylidene}-5-propylfuran-2(3H)-one
CID 1917599
Ethyl 6-(furan-2-yl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 4220434
Methyl 3-[4-(furan-2-yl)phenyl]-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 70681048

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate?
The IUPAC name of methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate (CID 58974298) is methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate?
The canonical SMILES for methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate is COC(=O)CCc1ccc(CC(O[Si](C)(C)C(C)(C)C)c2ccccc2)o1.
What is the InChIKey of methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate?
The InChIKey is DCIALSIGWMCHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4Si/c1-22(2,3)27(5,6)26-20(17-10-8-7-9-11-17)16-19-13-12-18(25-19)14-15-21(23)24-4/h7-13,20H,14-16H2,1-6H3.
What are the key properties of methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate?
methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate has a molecular weight of 388.58 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate is sourced from PubChem (CID 58974298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).