(3-methoxy-5-oxo-2H-furan-2-yl) acetate

C7H8O5 — CID 12886070

IUPAC(3-methoxy-5-oxo-2H-furan-2-yl) acetate
SMILESCOC1=CC(=O)OC1OC(C)=O
InChIInChI=1S/C7H8O5/c1-4(8)11-7-5(10-2)3-6(9)12-7/h3,7H,1-2H3
InChIKeyCDQJWCMNWORFKU-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.04
Rot. Bonds2

About (3-methoxy-5-oxo-2H-furan-2-yl) acetate

(3-methoxy-5-oxo-2H-furan-2-yl) acetate (PubChem CID 12886070) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is (3-methoxy-5-oxo-2H-furan-2-yl) acetate.

Molecular Properties

Compound Name(3-methoxy-5-oxo-2H-furan-2-yl) acetate
PubChem CID12886070
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Name(3-methoxy-5-oxo-2H-furan-2-yl) acetate
SMILESCOC1=CC(=O)OC1OC(C)=O
InChIInChI=1S/C7H8O5/c1-4(8)11-7-5(10-2)3-6(9)12-7/h3,7H,1-2H3
InChIKeyCDQJWCMNWORFKU-UHFFFAOYSA-N
XLogP-0.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-3-methoxybutenolid
CID 11073448
(2R)-2-hydroxy-3-methoxy-2H-furan-5-one
CID 163086510
(r,s)-4,5-Dimethoxy-5h-furan-2-one
CID 12615322
(r,s)-5-Butoxy-4-methoxy-5h-furan-2-one
CID 85535216
(r,s)-5-Allyloxy-4-methoxy-5h-furan-2-one
CID 85535218
4-ethoxy-2(5H)-furanone
CID 10866347
5-Oxo-2,5-dihydrofuran-3-yl acetate
CID 12565887
4-Propoxyfuran-2(5H)-one
CID 13987376
tert-butyl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 121015288
propan-2-yl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 121222390
Methyl 5-methoxy-2,5-dihydrofurylideneacetate
CID 129794912
ethyl (Z)-3-(methoxymethoxy)but-2-enoate
CID 134937263

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-oxo-2H-furan-2-yl) acetate?
The IUPAC name of (3-methoxy-5-oxo-2H-furan-2-yl) acetate (CID 12886070) is (3-methoxy-5-oxo-2H-furan-2-yl) acetate.
What is the SMILES notation for (3-methoxy-5-oxo-2H-furan-2-yl) acetate?
The canonical SMILES for (3-methoxy-5-oxo-2H-furan-2-yl) acetate is COC1=CC(=O)OC1OC(C)=O.
What is the InChIKey of (3-methoxy-5-oxo-2H-furan-2-yl) acetate?
The InChIKey is CDQJWCMNWORFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c1-4(8)11-7-5(10-2)3-6(9)12-7/h3,7H,1-2H3.
What are the key properties of (3-methoxy-5-oxo-2H-furan-2-yl) acetate?
(3-methoxy-5-oxo-2H-furan-2-yl) acetate has a molecular weight of 172.14 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-oxo-2H-furan-2-yl) acetate is sourced from PubChem (CID 12886070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).