1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate

C12H18O4 — CID 166866898

IUPAC1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1(CC)CCOC1=O
InChIInChI=1S/C12H18O4/c1-5-12(6-7-15-11(12)14)9(4)16-10(13)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyHILYAIRNNSYCAD-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.84
Rot. Bonds4

About 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate

1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate (PubChem CID 166866898) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate
PubChem CID166866898
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1(CC)CCOC1=O
InChIInChI=1S/C12H18O4/c1-5-12(6-7-15-11(12)14)9(4)16-10(13)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyHILYAIRNNSYCAD-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate (CID 166866898) is 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C1(CC)CCOC1=O.
What is the InChIKey of 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is HILYAIRNNSYCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-5-12(6-7-15-11(12)14)9(4)16-10(13)8(2)3/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate?
1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 166866898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).