2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one

C10H10O5 — CID 15765575

IUPAC2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one
SMILESCOC1OC(=O)C=C1C1CC(=O)C=CO1
InChIInChI=1S/C10H10O5/c1-13-10-7(5-9(12)15-10)8-4-6(11)2-3-14-8/h2-3,5,8,10H,4H2,1H3
InChIKeyCKODAVBNIZTJPE-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.31
Rot. Bonds2

About 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one

2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one (PubChem CID 15765575) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one
PubChem CID15765575
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one
SMILESCOC1OC(=O)C=C1C1CC(=O)C=CO1
InChIInChI=1S/C10H10O5/c1-13-10-7(5-9(12)15-10)8-4-6(11)2-3-14-8/h2-3,5,8,10H,4H2,1H3
InChIKeyCKODAVBNIZTJPE-UHFFFAOYSA-N
XLogP0.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-2-hydroxy-4-oxohex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 24864800
2-tert-butyl-7,7a-dihydro-6H-cyclopenta[d][1,3]dioxin-4-one
CID 548770
Fvxfgbpfnvixlw-uhfffaoysa-
CID 15765571
Cyclopenta-1,3-dioxin-4(6H)-one, 2-(1,1-dimethylethyl)-7,7a-dihydro-, (2s-trans)-
CID 91694336
methyl (Z)-7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 12821218
(Z)-Methyl 7-((3R)-5-oxo-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopent-1-en-1-yl)hept-5-enoate
CID 12821219
Ethyl 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 54371984
CID 54386210
CID 54386210
methyl (Z)-7-[(3S)-3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 70598129
methyl (Z)-7-[5-oxo-3-[[(2R)-2H-pyran-2-yl]oxy]cyclopenten-1-yl]hept-5-enoate
CID 70600435
ethyl (Z)-7-[(3S)-3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 70601890
ethyl (Z)-7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 70618151

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one (CID 15765575) is 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one is COC1OC(=O)C=C1C1CC(=O)C=CO1.
What is the InChIKey of 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one?
The InChIKey is CKODAVBNIZTJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-13-10-7(5-9(12)15-10)8-4-6(11)2-3-14-8/h2-3,5,8,10H,4H2,1H3.
What are the key properties of 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one?
2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one has a molecular weight of 210.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 15765575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).