2-(5-oxo-2H-furan-3-yl)oxan-4-one

C9H10O4 — CID 15765573

IUPAC2-(5-oxo-2H-furan-3-yl)oxan-4-one
SMILESO=C1CCOC(C2=CC(=O)OC2)C1
InChIInChI=1S/C9H10O4/c10-7-1-2-12-8(4-7)6-3-9(11)13-5-6/h3,8H,1-2,4-5H2
InChIKeyOGIQDBTYCDOUNV-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.22
Rot. Bonds1

About 2-(5-oxo-2H-furan-3-yl)oxan-4-one

2-(5-oxo-2H-furan-3-yl)oxan-4-one (PubChem CID 15765573) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(5-oxo-2H-furan-3-yl)oxan-4-one.

Molecular Properties

Compound Name2-(5-oxo-2H-furan-3-yl)oxan-4-one
PubChem CID15765573
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-(5-oxo-2H-furan-3-yl)oxan-4-one
SMILESO=C1CCOC(C2=CC(=O)OC2)C1
InChIInChI=1S/C9H10O4/c10-7-1-2-12-8(4-7)6-3-9(11)13-5-6/h3,8H,1-2,4-5H2
InChIKeyOGIQDBTYCDOUNV-UHFFFAOYSA-N
XLogP0.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Crotonyloxymethyl-2-cyclohexenone
CID 6439061
Zrbiijnqslhraq-uhfffaoysa-
CID 11138069
Methyl 2-butyl-4-prop-2-enyl-2,5-dihydrofuran-3-carboxylate
CID 101195454
2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester
CID 129222
2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-
CID 10997430
2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl acetate
CID 13102760
(6-Oxocyclohexen-1-yl)methyl 2-methylprop-2-enoate
CID 69461746
1-(5-oxo-2H-furan-4-yl)butyl acetate
CID 13902462
Ethyl 6-(acetyloxy)cyclohex-1-ene-1-carboxylate
CID 13929854
Dimethyl 5-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 69168247
(1-Acetoxyethyl)cyclopentenone
CID 129804549
Fvxfgbpfnvixlw-uhfffaoysa-
CID 15765571

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2H-furan-3-yl)oxan-4-one?
The IUPAC name of 2-(5-oxo-2H-furan-3-yl)oxan-4-one (CID 15765573) is 2-(5-oxo-2H-furan-3-yl)oxan-4-one.
What is the SMILES notation for 2-(5-oxo-2H-furan-3-yl)oxan-4-one?
The canonical SMILES for 2-(5-oxo-2H-furan-3-yl)oxan-4-one is O=C1CCOC(C2=CC(=O)OC2)C1.
What is the InChIKey of 2-(5-oxo-2H-furan-3-yl)oxan-4-one?
The InChIKey is OGIQDBTYCDOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-7-1-2-12-8(4-7)6-3-9(11)13-5-6/h3,8H,1-2,4-5H2.
What are the key properties of 2-(5-oxo-2H-furan-3-yl)oxan-4-one?
2-(5-oxo-2H-furan-3-yl)oxan-4-one has a molecular weight of 182.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2H-furan-3-yl)oxan-4-one is sourced from PubChem (CID 15765573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).