3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one

C9H10O4 — CID 10631260

IUPAC3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one
SMILESO=C1C=C(C2CC=CCO2)C(O)O1
InChIInChI=1S/C9H10O4/c10-8-5-6(9(11)13-8)7-3-1-2-4-12-7/h1-2,5,7,9,11H,3-4H2
InChIKeyCIKRUXXVSDQFHD-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.13
Rot. Bonds1

About 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one

3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one (PubChem CID 10631260) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one
PubChem CID10631260
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one
SMILESO=C1C=C(C2CC=CCO2)C(O)O1
InChIInChI=1S/C9H10O4/c10-8-5-6(9(11)13-8)7-3-1-2-4-12-7/h1-2,5,7,9,11H,3-4H2
InChIKeyCIKRUXXVSDQFHD-UHFFFAOYSA-N
XLogP0.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one (CID 10631260) is 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one is O=C1C=C(C2CC=CCO2)C(O)O1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one?
The InChIKey is CIKRUXXVSDQFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-8-5-6(9(11)13-8)7-3-1-2-4-12-7/h1-2,5,7,9,11H,3-4H2.
What are the key properties of 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one?
3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one has a molecular weight of 182.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-2-yl)-2-hydroxy-2H-furan-5-one is sourced from PubChem (CID 10631260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).