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

C10H12O5 — CID 10954847

IUPAC2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESCC1=CCC(C2=CC(=O)OC2O)OC1O
InChIInChI=1S/C10H12O5/c1-5-2-3-7(14-9(5)12)6-4-8(11)15-10(6)13/h2,4,7,9-10,12-13H,3H2,1H3
InChIKeyDLLVMVTURUISEV-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.16
Rot. Bonds1

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

2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (PubChem CID 10954847) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
PubChem CID10954847
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESCC1=CCC(C2=CC(=O)OC2O)OC1O
InChIInChI=1S/C10H12O5/c1-5-2-3-7(14-9(5)12)6-4-8(11)15-10(6)13/h2,4,7,9-10,12-13H,3H2,1H3
InChIKeyDLLVMVTURUISEV-UHFFFAOYSA-N
XLogP-0.16
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-propyl-2H-furan-5-one
CID 12864800
5-Hydroxy-4-[6-hydroxy-5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-3,6-dihydro-2H-pyran-2-yl]-5H-furan-2-one
CID 10024065
Hippolide E
CID 53355992
Aruncin A
CID 54586593
Agn 190383
CID 149069
5-Hydroxy-4-[5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-3,6-dihydro-2H-pyran-2-yl]-5H-furan-2-one
CID 10548221
(2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one
CID 164610755
(2R)-2-methoxy-3-[(2R,6R)-6-methoxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 164611225
(2S)-2-methoxy-3-[(2R,6R)-6-methoxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 164611940
(2S)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one
CID 164626182
Cikruxxvsdqfhd-uhfffaoysa-
CID 10631260
Hippolide C
CID 53355990

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (CID 10954847) is 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is CC1=CCC(C2=CC(=O)OC2O)OC1O.
What is the InChIKey of 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The InChIKey is DLLVMVTURUISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-5-2-3-7(14-9(5)12)6-4-8(11)15-10(6)13/h2,4,7,9-10,12-13H,3H2,1H3.
What are the key properties of 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one has a molecular weight of 212.20 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is sourced from PubChem (CID 10954847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).