(2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one

C8H10O4 — CID 170989942

IUPAC(2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one
SMILESCC[C@H]1OC(=O)C(C(C)=O)=C1O
InChIInChI=1S/C8H10O4/c1-3-5-7(10)6(4(2)9)8(11)12-5/h5,10H,3H2,1-2H3/t5-/m1/s1
InChIKeyXFXVRNWNXWTPIQ-RXMQYKEDSA-N
MW170.16 g/mol
LogP0.72
Rot. Bonds2

About (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one

(2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one (PubChem CID 170989942) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one
PubChem CID170989942
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one
SMILESCC[C@H]1OC(=O)C(C(C)=O)=C1O
InChIInChI=1S/C8H10O4/c1-3-5-7(10)6(4(2)9)8(11)12-5/h5,10H,3H2,1-2H3/t5-/m1/s1
InChIKeyXFXVRNWNXWTPIQ-RXMQYKEDSA-N
XLogP0.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-Acetyl-5-methyltetronic acid
CID 54689135
(2S)-2,5-Dihydro-3-hydroxy-5-oxo-4-(1-oxobutyl)-2-furanacetic acid
CID 54687841
3-Ethyl-4-hydroxy-5-methylfuran-2(5H)-one
CID 54690859
3-Acetyl-4-hydroxy-6-methyl-5,6-dihydro-pyran-2-one
CID 54689138
Carlosic acid methyl ester
CID 122391261
Pesthetoxin
CID 54708431
(S)-3-acetyl-4-hydroxy-5-methylfuran-2(5H)-one
CID 54684874
2-Acetyltetronic acid
CID 54689134
ethyl (E)-2-acetyl-3-hydroxybut-2-enoate
CID 54712655
ethyl 2-(2-ethoxy-2-oxoethyl)-3-hydroxy-5-oxo-2H-furan-4-carboxylate
CID 145810718
4-[(2R)-3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl]-4-oxobutanoic acid
CID 101289813
(2S)-3-hydroxy-2-methyl-4-propanoyl-2H-furan-5-one
CID 101619141

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one (CID 170989942) is (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one is CC[C@H]1OC(=O)C(C(C)=O)=C1O.
What is the InChIKey of (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one?
The InChIKey is XFXVRNWNXWTPIQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-5-7(10)6(4(2)9)8(11)12-5/h5,10H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one?
(2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one has a molecular weight of 170.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-2-ethyl-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 170989942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).