2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one

C8H6O5 — CID 14090735

IUPAC2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one
SMILESO=C1C=CC(OC2C=CC(=O)O2)O1
InChIInChI=1S/C8H6O5/c9-5-1-3-7(11-5)13-8-4-2-6(10)12-8/h1-4,7-8H
InChIKeyZCYRLDPNAVPJGP-UHFFFAOYSA-N
MW182.13 g/mol
LogP-0.12
Rot. Bonds2

About 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one

2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one (PubChem CID 14090735) has the molecular formula C8H6O5 and a molecular weight of 182.13 g/mol. Its IUPAC name is 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one.

Molecular Properties

Compound Name2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one
PubChem CID14090735
Molecular FormulaC8H6O5
Molecular Weight182.13 g/mol
Exact Mass182.02
IUPAC Name2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one
SMILESO=C1C=CC(OC2C=CC(=O)O2)O1
InChIInChI=1S/C8H6O5/c9-5-1-3-7(11-5)13-8-4-2-6(10)12-8/h1-4,7-8H
InChIKeyZCYRLDPNAVPJGP-UHFFFAOYSA-N
XLogP-0.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethoxy-5H-furan-2-one
CID 3293575
5-Methoxyfuran-2(5H)-one
CID 112042
2-Butenoic acid, 2-propenylidene ester
CID 5354387
2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)
CID 6433527
2,5-Dihydrofuran-2,5-diyl diacetate
CID 284212
2(5H)-Furanone, 5-(acetyloxy)-
CID 538190
[(2R)-5-oxo-2H-furan-2-yl] acetate
CID 10582881
(R)-5-Methoxyfuran-2(5H)-one
CID 10996992
tert-butyl (5-oxo-2H-furan-2-yl) carbonate
CID 11074395
Methyl 4,4-diethoxy-crotonate
CID 13899098
ethyl (2Z,4E)-6,6-diethoxyhexa-2,4-dienoate
CID 89358092
Ethane maleate
CID 129778288

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one?
The IUPAC name of 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one (CID 14090735) is 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one.
What is the SMILES notation for 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one?
The canonical SMILES for 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one is O=C1C=CC(OC2C=CC(=O)O2)O1.
What is the InChIKey of 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one?
The InChIKey is ZCYRLDPNAVPJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O5/c9-5-1-3-7(11-5)13-8-4-2-6(10)12-8/h1-4,7-8H.
What are the key properties of 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one?
2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one has a molecular weight of 182.13 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one is sourced from PubChem (CID 14090735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).