prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate

C17H26O6Si — CID 15984922

IUPACprop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=CCOC(=O)C(=C)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O
InChIInChI=1S/C17H26O6Si/c1-8-9-21-15(19)11(2)14(12-10-13(18)22-16(12)20)23-24(6,7)17(3,4)5/h8,10,14,16,20H,1-2,9H2,3-7H3
InChIKeyZWJMFLSZCJBASP-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.46
Rot. Bonds7

About prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate

prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (PubChem CID 15984922) has the molecular formula C17H26O6Si and a molecular weight of 354.48 g/mol. Its IUPAC name is prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
PubChem CID15984922
Molecular FormulaC17H26O6Si
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Nameprop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=CCOC(=O)C(=C)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O
InChIInChI=1S/C17H26O6Si/c1-8-9-21-15(19)11(2)14(12-10-13(18)22-16(12)20)23-24(6,7)17(3,4)5/h8,10,14,16,20H,1-2,9H2,3-7H3
InChIKeyZWJMFLSZCJBASP-UHFFFAOYSA-N
XLogP2.46
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The IUPAC name of prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (CID 15984922) is prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The canonical SMILES for prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is C=CCOC(=O)C(=C)C(O[Si](C)(C)C(C)(C)C)C1=CC(=O)OC1O.
What is the InChIKey of prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The InChIKey is ZWJMFLSZCJBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O6Si/c1-8-9-21-15(19)11(2)14(12-10-13(18)22-16(12)20)23-24(6,7)17(3,4)5/h8,10,14,16,20H,1-2,9H2,3-7H3.
What are the key properties of prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate has a molecular weight of 354.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[[tert-butyl(dimethyl)silyl]oxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 15984922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).