methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate

C9H10O6 — CID 101432683

IUPACmethyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O)C1=CC(O)OC1=O
InChIInChI=1S/C9H10O6/c1-4(8(12)14-2)7(11)5-3-6(10)15-9(5)13/h3,6-7,10-11H,1H2,2H3
InChIKeyALVFDQOTHCPISY-UHFFFAOYSA-N
MW214.17 g/mol
LogP-1.12
Rot. Bonds3

About methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate

methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate (PubChem CID 101432683) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate
PubChem CID101432683
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Namemethyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O)C1=CC(O)OC1=O
InChIInChI=1S/C9H10O6/c1-4(8(12)14-2)7(11)5-3-6(10)15-9(5)13/h3,6-7,10-11H,1H2,2H3
InChIKeyALVFDQOTHCPISY-UHFFFAOYSA-N
XLogP-1.12
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate (CID 101432683) is methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate is C=C(C(=O)OC)C(O)C1=CC(O)OC1=O.
What is the InChIKey of methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate?
The InChIKey is ALVFDQOTHCPISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c1-4(8(12)14-2)7(11)5-3-6(10)15-9(5)13/h3,6-7,10-11H,1H2,2H3.
What are the key properties of methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate?
methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate has a molecular weight of 214.17 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy-(2-hydroxy-5-oxo-2H-furan-4-yl)methyl]prop-2-enoate is sourced from PubChem (CID 101432683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).