3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one

C11H14O3 — CID 86054326

IUPAC3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(OCC(=C)C)COC1=O
InChIInChI=1S/C11H14O3/c1-4-5-9-10(7-14-11(9)12)13-6-8(2)3/h4H,1-2,5-7H2,3H3
InChIKeyHQYCYOBYICAGHL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.97
Rot. Bonds5

About 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one

3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one (PubChem CID 86054326) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one
PubChem CID86054326
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(OCC(=C)C)COC1=O
InChIInChI=1S/C11H14O3/c1-4-5-9-10(7-14-11(9)12)13-6-8(2)3/h4H,1-2,5-7H2,3H3
InChIKeyHQYCYOBYICAGHL-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Furancarboxylicacid,4,5-dihydro-2-methyl-5-methylene-,methylester(9CI)
CID 10034819
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-methylene-, ethyl ester
CID 11116447
ethyl (2E)-2-(oxolan-2-ylidene)butanoate
CID 11344407
2(5H)-Furanone, 4-methoxy-3-(4-pentenyl)-
CID 11458054
(2S)-3-but-3-en-2-yloxy-2-methyl-2H-furan-5-one
CID 134972768
Ethyl cyclopenta-1,3-diene-1-carboxylate
CID 517124
2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
CID 14200711
2,4-diethyl-2H-furan-5-one
CID 68023935
ethyl (2E)-3-methoxy-2-methylhepta-2,6-dienoate
CID 10512168
ethyl (2Z)-2-ethylidene-5-methyl-3H-furan-4-carboxylate
CID 10856120
2(5H)-Furanone, 5-(3-butenyl)-4-methoxy-
CID 11480668
(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
CID 12026270

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one?
The IUPAC name of 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one (CID 86054326) is 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one is C=CCC1=C(OCC(=C)C)COC1=O.
What is the InChIKey of 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one?
The InChIKey is HQYCYOBYICAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-5-9-10(7-14-11(9)12)13-6-8(2)3/h4H,1-2,5-7H2,3H3.
What are the key properties of 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one?
3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one has a molecular weight of 194.23 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 86054326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).