(4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate

C11H16O4Si — CID 139257712

IUPAC(4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate
SMILESC=C(O[Si](C)(C)C)C(=O)OC1C=CC(=O)C1
InChIInChI=1S/C11H16O4Si/c1-8(15-16(2,3)4)11(13)14-10-6-5-9(12)7-10/h5-6,10H,1,7H2,2-4H3
InChIKeyXGNSWWLMFZXVCU-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.79
Rot. Bonds4

About (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate

(4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate (PubChem CID 139257712) has the molecular formula C11H16O4Si and a molecular weight of 240.33 g/mol. Its IUPAC name is (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate.

Molecular Properties

Compound Name(4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate
PubChem CID139257712
Molecular FormulaC11H16O4Si
Molecular Weight240.33 g/mol
Exact Mass240.08
IUPAC Name(4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate
SMILESC=C(O[Si](C)(C)C)C(=O)OC1C=CC(=O)C1
InChIInChI=1S/C11H16O4Si/c1-8(15-16(2,3)4)11(13)14-10-6-5-9(12)7-10/h5-6,10H,1,7H2,2-4H3
InChIKeyXGNSWWLMFZXVCU-UHFFFAOYSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate with MolForge

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Related Compounds

[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-5-oxocyclopent-3-en-1-yl] acetate
CID 53235650
(4-Oxocyclopent-2-en-1-yl) 2-oxopropanoate
CID 130032118
(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
CID 164667839
[5-(2-Methylpropanoyloxy)-4-oxocyclopent-2-en-1-yl] 2-methylpropanoate
CID 9881502
4-O-[5-[(E)-4-methoxy-4-oxobut-2-enoyl]oxy-4-oxocyclopent-2-en-1-yl] 1-O-methyl (E)-but-2-enedioate
CID 9949721
(4-Oxo-5-propanoyloxycyclopent-2-en-1-yl) propanoate
CID 10176905
[5-(2-Methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate
CID 10199038
(5-Acetyloxy-4-oxocyclopent-2-en-1-yl) acetate
CID 10954514
(4-Oxocyclopent-2-en-1-yl) 2-methoxyacetate
CID 13983054
(5-Methoxy-4-oxocyclopent-2-en-1-yl) acetate
CID 14597326
[5-[(E)-hex-2-enoyl]oxy-4-oxocyclopent-2-en-1-yl] (E)-hex-2-enoate
CID 17924330
(5-Butanoyloxy-4-oxocyclopent-2-en-1-yl) butanoate
CID 17924334

Frequently Asked Questions

What is the IUPAC name of (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate?
The IUPAC name of (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate (CID 139257712) is (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate.
What is the SMILES notation for (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate?
The canonical SMILES for (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate is C=C(O[Si](C)(C)C)C(=O)OC1C=CC(=O)C1.
What is the InChIKey of (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate?
The InChIKey is XGNSWWLMFZXVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4Si/c1-8(15-16(2,3)4)11(13)14-10-6-5-9(12)7-10/h5-6,10H,1,7H2,2-4H3.
What are the key properties of (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate?
(4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate has a molecular weight of 240.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate is sourced from PubChem (CID 139257712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).