2,5-dimethylfuran;ethyl acetate

C10H16O3 — CID 174830713

IUPAC2,5-dimethylfuran;ethyl acetate
SMILESCCOC(C)=O.Cc1ccc(C)o1
InChIInChI=1S/C6H8O.C4H8O2/c1-5-3-4-6(2)7-5;1-3-6-4(2)5/h3-4H,1-2H3;3H2,1-2H3
InChIKeyBNQKCHYKSBUBNU-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.47
Rot. Bonds1

About 2,5-dimethylfuran;ethyl acetate

2,5-dimethylfuran;ethyl acetate (PubChem CID 174830713) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,5-dimethylfuran;ethyl acetate.

Molecular Properties

Compound Name2,5-dimethylfuran;ethyl acetate
PubChem CID174830713
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,5-dimethylfuran;ethyl acetate
SMILESCCOC(C)=O.Cc1ccc(C)o1
InChIInChI=1S/C6H8O.C4H8O2/c1-5-3-4-6(2)7-5;1-3-6-4(2)5/h3-4H,1-2H3;3H2,1-2H3
InChIKeyBNQKCHYKSBUBNU-UHFFFAOYSA-N
XLogP2.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobut-3-ene-1,2-dione;ethyl acetate
CID 160724894
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;ethyl acetate?
The IUPAC name of 2,5-dimethylfuran;ethyl acetate (CID 174830713) is 2,5-dimethylfuran;ethyl acetate.
What is the SMILES notation for 2,5-dimethylfuran;ethyl acetate?
The canonical SMILES for 2,5-dimethylfuran;ethyl acetate is CCOC(C)=O.Cc1ccc(C)o1.
What is the InChIKey of 2,5-dimethylfuran;ethyl acetate?
The InChIKey is BNQKCHYKSBUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C4H8O2/c1-5-3-4-6(2)7-5;1-3-6-4(2)5/h3-4H,1-2H3;3H2,1-2H3.
What are the key properties of 2,5-dimethylfuran;ethyl acetate?
2,5-dimethylfuran;ethyl acetate has a molecular weight of 184.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;ethyl acetate is sourced from PubChem (CID 174830713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).