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

C15H28O3Si — CID 102392364

IUPACethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C15H28O3Si/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5/h9,12-13H,8,10H2,1-7H3/t12-,13-/m0/s1
InChIKeyGJBATNDWMKVSNI-STQMWFEESA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds4

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

ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate (PubChem CID 102392364) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
PubChem CID102392364
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C15H28O3Si/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5/h9,12-13H,8,10H2,1-7H3/t12-,13-/m0/s1
InChIKeyGJBATNDWMKVSNI-STQMWFEESA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate (CID 102392364) is ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate is CCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1C.
What is the InChIKey of ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is GJBATNDWMKVSNI-STQMWFEESA-N. The full InChI is InChI=1S/C15H28O3Si/c1-8-17-14(16)13-10-12(9-11(13)2)18-19(6,7)15(3,4)5/h9,12-13H,8,10H2,1-7H3/t12-,13-/m0/s1.
What are the key properties of ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate?
ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 284.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 102392364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).