methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate

C16H24O5Si — CID 11023794

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(/C=C/C=O)C(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H24O5Si/c1-16(2,3)22(5,6)21-13-10-12(18)14(15(19)20-4)11(13)8-7-9-17/h7-9,13H,10H2,1-6H3/b8-7+
InChIKeyYZHBSPGPGAMUDQ-BQYQJAHWSA-N
MW324.45 g/mol
LogP2.57
Rot. Bonds5

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate (PubChem CID 11023794) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate
PubChem CID11023794
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(/C=C/C=O)C(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H24O5Si/c1-16(2,3)22(5,6)21-13-10-12(18)14(15(19)20-4)11(13)8-7-9-17/h7-9,13H,10H2,1-6H3/b8-7+
InChIKeyYZHBSPGPGAMUDQ-BQYQJAHWSA-N
XLogP2.57
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate with MolForge

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Related Compounds

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentene-1-carboxylate
CID 10754540
Methyl 6-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-triene-1-carboxylate
CID 134853091
methyl 6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-triene-1-carboxylate
CID 134853145
methyl (7E,9E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-11-oxoundeca-7,9-dienoate
CID 59153449
Methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate
CID 11722945
methyl (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carboxylate
CID 11825550
methyl (3E)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxo-3-(2-oxoethylidene)cyclohexene-1-carboxylate
CID 15313901
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentene-1-carboxylate
CID 85256715
(E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal
CID 102328557

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate (CID 11023794) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate is COC(=O)C1=C(/C=C/C=O)C(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate?
The InChIKey is YZHBSPGPGAMUDQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H24O5Si/c1-16(2,3)22(5,6)21-13-10-12(18)14(15(19)20-4)11(13)8-7-9-17/h7-9,13H,10H2,1-6H3/b8-7+.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 11023794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).