4-methoxy-2H-furan-5-one;propan-2-one

C8H12O4 — CID 22160665

IUPAC4-methoxy-2H-furan-5-one;propan-2-one
SMILESCC(C)=O.COC1=CCOC1=O
InChIInChI=1S/C5H6O3.C3H6O/c1-7-4-2-3-8-5(4)6;1-3(2)4/h2H,3H2,1H3;1-2H3
InChIKeyCRWAKTUAFJLQOM-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.67
Rot. Bonds1

About 4-methoxy-2H-furan-5-one;propan-2-one

4-methoxy-2H-furan-5-one;propan-2-one (PubChem CID 22160665) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-methoxy-2H-furan-5-one;propan-2-one.

Molecular Properties

Compound Name4-methoxy-2H-furan-5-one;propan-2-one
PubChem CID22160665
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name4-methoxy-2H-furan-5-one;propan-2-one
SMILESCC(C)=O.COC1=CCOC1=O
InChIInChI=1S/C5H6O3.C3H6O/c1-7-4-2-3-8-5(4)6;1-3(2)4/h2H,3H2,1H3;1-2H3
InChIKeyCRWAKTUAFJLQOM-UHFFFAOYSA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[(Z)-3-acetyloxy-4-oxopent-2-enyl] acetate
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Dimethyl 2-methoxymaleate
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Sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate
CID 16462971
Diethyl 2-hydroxyfumarate
CID 54676712
Maleic anhydride, dihydroxy-, dipropionate
CID 22096
Fumaric acid, dihydroxy-, dimethyl ester, diacetate
CID 3032293
CID 545759
CID 545759

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2H-furan-5-one;propan-2-one?
The IUPAC name of 4-methoxy-2H-furan-5-one;propan-2-one (CID 22160665) is 4-methoxy-2H-furan-5-one;propan-2-one.
What is the SMILES notation for 4-methoxy-2H-furan-5-one;propan-2-one?
The canonical SMILES for 4-methoxy-2H-furan-5-one;propan-2-one is CC(C)=O.COC1=CCOC1=O.
What is the InChIKey of 4-methoxy-2H-furan-5-one;propan-2-one?
The InChIKey is CRWAKTUAFJLQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.C3H6O/c1-7-4-2-3-8-5(4)6;1-3(2)4/h2H,3H2,1H3;1-2H3.
What are the key properties of 4-methoxy-2H-furan-5-one;propan-2-one?
4-methoxy-2H-furan-5-one;propan-2-one has a molecular weight of 172.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2H-furan-5-one;propan-2-one is sourced from PubChem (CID 22160665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).