prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate

C17H28O5Si — CID 11142377

IUPACprop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate
SMILESC=CCOC(=O)[C@H]1C(=O)C=C([C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C17H28O5Si/c1-8-9-21-16(20)14-13(18)10-12(15(14)19)11(2)22-23(6,7)17(3,4)5/h8,10-11,14-15,19H,1,9H2,2-7H3/t11-,14-,15-/m0/s1
InChIKeyVNQPEEBDHMWBRA-CQDKDKBSSA-N
MW340.49 g/mol
LogP2.61
Rot. Bonds6

About prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate

prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate (PubChem CID 11142377) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate
PubChem CID11142377
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Nameprop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate
SMILESC=CCOC(=O)[C@H]1C(=O)C=C([C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C17H28O5Si/c1-8-9-21-16(20)14-13(18)10-12(15(14)19)11(2)22-23(6,7)17(3,4)5/h8,10-11,14-15,19H,1,9H2,2-7H3/t11-,14-,15-/m0/s1
InChIKeyVNQPEEBDHMWBRA-CQDKDKBSSA-N
XLogP2.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate?
The IUPAC name of prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate (CID 11142377) is prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate.
What is the SMILES notation for prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate?
The canonical SMILES for prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate is C=CCOC(=O)[C@H]1C(=O)C=C([C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate?
The InChIKey is VNQPEEBDHMWBRA-CQDKDKBSSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-8-9-21-16(20)14-13(18)10-12(15(14)19)11(2)22-23(6,7)17(3,4)5/h8,10-11,14-15,19H,1,9H2,2-7H3/t11-,14-,15-/m0/s1.
What are the key properties of prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate?
prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate has a molecular weight of 340.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (1R,2R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxy-5-oxocyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 11142377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).