ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

C21H32O4Si — CID 123839895

About ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (PubChem CID 123839895) has the molecular formula C21H32O4Si and a molecular weight of 376.57 g/mol. Its IUPAC name is ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
• PubChem CID: 123839895
• Molecular Formula: C21H32O4Si
• Molecular Weight: 376.57 g/mol
• Exact Mass: 376.21
• IUPAC Name: ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
• SMILES: CCOC(=O)C1C2Oc3c(C)ccc(C(C)O[Si](C)(C)C(C)(C)C)c3C21
• InChI: InChI=1S/C21H32O4Si/c1-9-23-20(22)17-16-15-14(11-10-12(2)18(15)24-19(16)17)13(3)25-26(7,8)21(4,5)6/h10-11,13,16-17,19H,9H2,1-8H3
• InChIKey: APDZFRYIGHFAFO-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.57
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?

The IUPAC name of ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (CID 123839895) is ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.

What is the SMILES notation for ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?

The canonical SMILES for ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is CCOC(=O)C1C2Oc3c(C)ccc(C(C)O[Si](C)(C)C(C)(C)C)c3C21.

What is the InChIKey of ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?

The InChIKey is APDZFRYIGHFAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O4Si/c1-9-23-20(22)17-16-15-14(11-10-12(2)18(15)24-19(16)17)13(3)25-26(7,8)21(4,5)6/h10-11,13,16-17,19H,9H2,1-8H3.

What are the key properties of ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?

ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate has a molecular weight of 376.57 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is sourced from PubChem (CID 123839895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).