prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate

C11H12O6 — CID 15984970

IUPACprop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=CCOC(=O)C(=C)C(O)C1=CC(=O)OC1O
InChIInChI=1S/C11H12O6/c1-3-4-16-10(14)6(2)9(13)7-5-8(12)17-11(7)15/h3,5,9,11,13,15H,1-2,4H2
InChIKeyJMHDFRVNVJYZNO-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.57
Rot. Bonds5

About prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate

prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (PubChem CID 15984970) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
PubChem CID15984970
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Nameprop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate
SMILESC=CCOC(=O)C(=C)C(O)C1=CC(=O)OC1O
InChIInChI=1S/C11H12O6/c1-3-4-16-10(14)6(2)9(13)7-5-8(12)17-11(7)15/h3,5,9,11,13,15H,1-2,4H2
InChIKeyJMHDFRVNVJYZNO-UHFFFAOYSA-N
XLogP-0.57
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The IUPAC name of prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate (CID 15984970) is prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The canonical SMILES for prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is C=CCOC(=O)C(=C)C(O)C1=CC(=O)OC1O.
What is the InChIKey of prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
The InChIKey is JMHDFRVNVJYZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-3-4-16-10(14)6(2)9(13)7-5-8(12)17-11(7)15/h3,5,9,11,13,15H,1-2,4H2.
What are the key properties of prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate?
prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate has a molecular weight of 240.21 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 15984970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).