3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one

C8H10O3 — CID 112756796

IUPAC3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one
SMILESCC=CC1OC(=O)C(C)=C1O
InChIInChI=1S/C8H10O3/c1-3-4-6-7(9)5(2)8(10)11-6/h3-4,6,9H,1-2H3
InChIKeyQCOSGLJSWGWJOY-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.32
Rot. Bonds1

About 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one

3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one (PubChem CID 112756796) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one
PubChem CID112756796
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one
SMILESCC=CC1OC(=O)C(C)=C1O
InChIInChI=1S/C8H10O3/c1-3-4-6-7(9)5(2)8(10)11-6/h3-4,6,9H,1-2H3
InChIKeyQCOSGLJSWGWJOY-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 54098323
2,4-dimethyl-3-(2-methylprop-1-enyl)-2H-furan-5-one
CID 20820548
2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one
CID 69099244
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-4-methyl-2H-furan-5-one
CID 118358907
(2S,7S,7aS)-7-methyl-2-[(E)-prop-1-enyl]-7,7a-dihydrofuro[3,4-b]pyran-3,5-dione
CID 11183379
(3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one
CID 131243627
(2S,3S,4R)-3,4-dihydroxy-7-methylidene-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-furo[3,4-b]pyran-5-one
CID 38354610
1-[5-methyl-2-[(Z)-prop-1-enyl]-1,3-dioxol-4-yl]ethanone
CID 134985667
3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one
CID 78411930
3,4-dihydroxy-2-methyl-2H-furan-5-one
CID 54676244
7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one
CID 163109665
[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (E)-but-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one (CID 112756796) is 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one is CC=CC1OC(=O)C(C)=C1O.
What is the InChIKey of 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one?
The InChIKey is QCOSGLJSWGWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-4-6-7(9)5(2)8(10)11-6/h3-4,6,9H,1-2H3.
What are the key properties of 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one?
3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one has a molecular weight of 154.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-2-prop-1-enyl-2H-furan-5-one is sourced from PubChem (CID 112756796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).