3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene

C10H14O5 — CID 175091003

IUPAC3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene
SMILESC=CCC1(O)CC(=O)OC1=O.C=COC
InChIInChI=1S/C7H8O4.C3H6O/c1-2-3-7(10)4-5(8)11-6(7)9;1-3-4-2/h2,10H,1,3-4H2;3H,1H2,2H3
InChIKeyXRUFYKIXYLJZMW-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.54
Rot. Bonds3

About 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene

3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene (PubChem CID 175091003) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene.

Molecular Properties

Compound Name3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene
PubChem CID175091003
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene
SMILESC=CCC1(O)CC(=O)OC1=O.C=COC
InChIInChI=1S/C7H8O4.C3H6O/c1-2-3-7(10)4-5(8)11-6(7)9;1-3-4-2/h2,10H,1,3-4H2;3H,1H2,2H3
InChIKeyXRUFYKIXYLJZMW-UHFFFAOYSA-N
XLogP0.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene?
The IUPAC name of 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene (CID 175091003) is 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene.
What is the SMILES notation for 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene?
The canonical SMILES for 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene is C=CCC1(O)CC(=O)OC1=O.C=COC.
What is the InChIKey of 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene?
The InChIKey is XRUFYKIXYLJZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4.C3H6O/c1-2-3-7(10)4-5(8)11-6(7)9;1-3-4-2/h2,10H,1,3-4H2;3H,1H2,2H3.
What are the key properties of 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene?
3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene has a molecular weight of 214.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-prop-2-enyloxolane-2,5-dione;methoxyethene is sourced from PubChem (CID 175091003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).