(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate

C12H18O4 — CID 90337387

IUPAC(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)CC(=O)OC1CC
InChIInChI=1S/C12H18O4/c1-5-9-12(6-2,7-10(13)15-9)16-11(14)8(3)4/h9H,3,5-7H2,1-2,4H3
InChIKeyWAVVAPODZVICDE-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.98
Rot. Bonds4

About (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate

(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate (PubChem CID 90337387) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
PubChem CID90337387
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)CC(=O)OC1CC
InChIInChI=1S/C12H18O4/c1-5-9-12(6-2,7-10(13)15-9)16-11(14)8(3)4/h9H,3,5-7H2,1-2,4H3
InChIKeyWAVVAPODZVICDE-UHFFFAOYSA-N
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate 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

[(4R)-3-methylidene-2-oxo-1-oxaspiro[4.5]decan-4-yl] acetate
CID 44382519
(2-ethyl-4-methylidene-5-oxo-oxolan-3-yl) Acetate
CID 186926
2(3H)-Furanone, 4-(acetyloxy)dihydro-3-methylene-5-(1-methylethyl)-
CID 187089
Tert-butyl 2-(2-methyl-4-methylidene-5-oxooxolan-2-yl)acetate
CID 20625876
[3-Oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
CID 20643858
2-(3,3-Dimethyl-5-oxooxolan-2-yl)ethyl 2-methylprop-2-enoate
CID 20736049
(4-Ethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 21863728
(2,2,3,4,4-Pentamethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 21954454
(2,2,3-Trimethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 21954470
(2,2-Dimethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 21954480
(2-Methyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 22650055
2,3-Dimethyl-5-oxotetrahydrofuran-3-yl methacrylate
CID 22650067

Frequently Asked Questions

What is the IUPAC name of (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate (CID 90337387) is (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CC)CC(=O)OC1CC.
What is the InChIKey of (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate?
The InChIKey is WAVVAPODZVICDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-5-9-12(6-2,7-10(13)15-9)16-11(14)8(3)4/h9H,3,5-7H2,1-2,4H3.
What are the key properties of (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate?
(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 90337387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).