(2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate

C8H10O4 — CID 536096

IUPAC(2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate
SMILESCC(=O)OC1=C(C)C(=O)OC1C
InChIInChI=1S/C8H10O4/c1-4-7(12-6(3)9)5(2)11-8(4)10/h5H,1-3H3
InChIKeyOBQCRKRFVJMFQH-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.77
Rot. Bonds1

About (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate

(2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate (PubChem CID 536096) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate.

Molecular Properties

Compound Name(2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate
PubChem CID536096
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate
SMILESCC(=O)OC1=C(C)C(=O)OC1C
InChIInChI=1S/C8H10O4/c1-4-7(12-6(3)9)5(2)11-8(4)10/h5H,1-3H3
InChIKeyOBQCRKRFVJMFQH-UHFFFAOYSA-N
XLogP0.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethylfuran-2(5H)-one
CID 9898826
3-methoxy-4,5-dimethyl-2(5H)-furanone
CID 15046850
2(5H)-Furanone, 4-hydroxy-3,5-dimethyl-
CID 54698897
InChI=1/C8H11FO3/c1-4-11-6-5(9)7(10)12-8(6,2)3/h4H2,1-3H
CID 15488153
3-Fluoro-5,5-dimethyl-4-propoxyfuran-2-one
CID 15488154
InChI=1/C9H13FO3/c1-5(2)12-7-6(10)8(11)13-9(7,3)4/h5H,1-4H
CID 15488155
(2R)-2,3,4-trimethyl-2H-furan-5-one
CID 5324906
ethyl (2E)-2-(oxolan-2-ylidene)propanoate
CID 12101790
5-Ethyl-3,4-dimethylfuran-2(5H)-one
CID 12680873
3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one
CID 11805203
[(2S)-3,4-dimethyl-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate
CID 11851359
(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
CID 12026270

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate?
The IUPAC name of (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate (CID 536096) is (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate.
What is the SMILES notation for (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate?
The canonical SMILES for (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate is CC(=O)OC1=C(C)C(=O)OC1C.
What is the InChIKey of (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate?
The InChIKey is OBQCRKRFVJMFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-4-7(12-6(3)9)5(2)11-8(4)10/h5H,1-3H3.
What are the key properties of (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate?
(2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate has a molecular weight of 170.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-5-oxo-2H-furan-3-yl) acetate is sourced from PubChem (CID 536096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).