2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one

C14H20O6 — CID 122522074

IUPAC2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one
SMILESCCC1=C(O)C(=O)C(C)O1.CCC1OC(C)=C(O)C1=O
InChIInChI=1S/2C7H10O3/c2*1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3;4,9H,3H2,1-2H3
InChIKeyIMTZVGUVUDCEHC-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.31
Rot. Bonds2

About 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one

2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one (PubChem CID 122522074) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one
PubChem CID122522074
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one
SMILESCCC1=C(O)C(=O)C(C)O1.CCC1OC(C)=C(O)C1=O
InChIInChI=1S/2C7H10O3/c2*1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3;4,9H,3H2,1-2H3
InChIKeyIMTZVGUVUDCEHC-UHFFFAOYSA-N
XLogP2.31
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one?
The IUPAC name of 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one (CID 122522074) is 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one?
The canonical SMILES for 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one is CCC1=C(O)C(=O)C(C)O1.CCC1OC(C)=C(O)C1=O.
What is the InChIKey of 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one?
The InChIKey is IMTZVGUVUDCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10O3/c2*1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3;4,9H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one?
2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one has a molecular weight of 284.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one is sourced from PubChem (CID 122522074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).