ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate

C17H30O5Si — CID 135017524

IUPACethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@@]1(OC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C17H30O5Si/c1-9-20-15(19)17(21-13(3)18)11-14(10-12(17)2)22-23(7,8)16(4,5)6/h10,14H,9,11H2,1-8H3/t14-,17+/m0/s1
InChIKeyIVGZEBSRAWIIEL-WMLDXEAASA-N
MW342.51 g/mol
LogP3.59
Rot. Bonds5

About ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate

ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate (PubChem CID 135017524) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
PubChem CID135017524
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Nameethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@@]1(OC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C17H30O5Si/c1-9-20-15(19)17(21-13(3)18)11-14(10-12(17)2)22-23(7,8)16(4,5)6/h10,14H,9,11H2,1-8H3/t14-,17+/m0/s1
InChIKeyIVGZEBSRAWIIEL-WMLDXEAASA-N
XLogP3.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate (CID 135017524) is ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate is CCOC(=O)[C@@]1(OC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C.
What is the InChIKey of ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is IVGZEBSRAWIIEL-WMLDXEAASA-N. The full InChI is InChI=1S/C17H30O5Si/c1-9-20-15(19)17(21-13(3)18)11-14(10-12(17)2)22-23(7,8)16(4,5)6/h10,14H,9,11H2,1-8H3/t14-,17+/m0/s1.
What are the key properties of ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 342.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,4R)-1-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 135017524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).