ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

C20H30O4Si — CID 140749116

IUPACethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)C1C2Oc3ccc(C(C)O[Si](C)(C)C(C)(C)C)cc3C21
InChIInChI=1S/C20H30O4Si/c1-8-22-19(21)17-16-14-11-13(9-10-15(14)23-18(16)17)12(2)24-25(6,7)20(3,4)5/h9-12,16-18H,8H2,1-7H3
InChIKeyGEVSCIOTFYMNQA-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.81
Rot. Bonds5

About ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (PubChem CID 140749116) has the molecular formula C20H30O4Si and a molecular weight of 362.54 g/mol. Its IUPAC name is ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
PubChem CID140749116
Molecular FormulaC20H30O4Si
Molecular Weight362.54 g/mol
Exact Mass362.19
IUPAC Nameethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)C1C2Oc3ccc(C(C)O[Si](C)(C)C(C)(C)C)cc3C21
InChIInChI=1S/C20H30O4Si/c1-8-22-19(21)17-16-14-11-13(9-10-15(14)23-18(16)17)12(2)24-25(6,7)20(3,4)5/h9-12,16-18H,8H2,1-7H3
InChIKeyGEVSCIOTFYMNQA-UHFFFAOYSA-N
XLogP4.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The IUPAC name of ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (CID 140749116) is ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.
What is the SMILES notation for ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The canonical SMILES for ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is CCOC(=O)C1C2Oc3ccc(C(C)O[Si](C)(C)C(C)(C)C)cc3C21.
What is the InChIKey of ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The InChIKey is GEVSCIOTFYMNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4Si/c1-8-22-19(21)17-16-14-11-13(9-10-15(14)23-18(16)17)12(2)24-25(6,7)20(3,4)5/h9-12,16-18H,8H2,1-7H3.
What are the key properties of ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate has a molecular weight of 362.54 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is sourced from PubChem (CID 140749116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).