4-methyl-2-(2-oxopropyl)-2H-furan-5-one

C8H10O3 — CID 54421891

IUPAC4-methyl-2-(2-oxopropyl)-2H-furan-5-one
SMILESCC(=O)CC1C=C(C)C(=O)O1
InChIInChI=1S/C8H10O3/c1-5-3-7(4-6(2)9)11-8(5)10/h3,7H,4H2,1-2H3
InChIKeyWBKBGAAXKWHLHJ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds2

About 4-methyl-2-(2-oxopropyl)-2H-furan-5-one

4-methyl-2-(2-oxopropyl)-2H-furan-5-one (PubChem CID 54421891) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-methyl-2-(2-oxopropyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-(2-oxopropyl)-2H-furan-5-one
PubChem CID54421891
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-methyl-2-(2-oxopropyl)-2H-furan-5-one
SMILESCC(=O)CC1C=C(C)C(=O)O1
InChIInChI=1S/C8H10O3/c1-5-3-7(4-6(2)9)11-8(5)10/h3,7H,4H2,1-2H3
InChIKeyWBKBGAAXKWHLHJ-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxopropyl)-2H-furan-5-one?
The IUPAC name of 4-methyl-2-(2-oxopropyl)-2H-furan-5-one (CID 54421891) is 4-methyl-2-(2-oxopropyl)-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-(2-oxopropyl)-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-(2-oxopropyl)-2H-furan-5-one is CC(=O)CC1C=C(C)C(=O)O1.
What is the InChIKey of 4-methyl-2-(2-oxopropyl)-2H-furan-5-one?
The InChIKey is WBKBGAAXKWHLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-3-7(4-6(2)9)11-8(5)10/h3,7H,4H2,1-2H3.
What are the key properties of 4-methyl-2-(2-oxopropyl)-2H-furan-5-one?
4-methyl-2-(2-oxopropyl)-2H-furan-5-one has a molecular weight of 154.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxopropyl)-2H-furan-5-one is sourced from PubChem (CID 54421891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).