(E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid

C10H14O4 — CID 141130679

IUPAC(E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid
SMILESCCC1C(=O)OCC1/C=C(\C)C(=O)O
InChIInChI=1S/C10H14O4/c1-3-8-7(5-14-10(8)13)4-6(2)9(11)12/h4,7-8H,3,5H2,1-2H3,(H,11,12)/b6-4+
InChIKeyUTEPGLSSWWMBOS-GQCTYLIASA-N
MW198.22 g/mol
LogP1.22
Rot. Bonds3

About (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid

(E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid (PubChem CID 141130679) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid
PubChem CID141130679
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid
SMILESCCC1C(=O)OCC1/C=C(\C)C(=O)O
InChIInChI=1S/C10H14O4/c1-3-8-7(5-14-10(8)13)4-6(2)9(11)12/h4,7-8H,3,5H2,1-2H3,(H,11,12)/b6-4+
InChIKeyUTEPGLSSWWMBOS-GQCTYLIASA-N
XLogP1.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid (CID 141130679) is (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid is CCC1C(=O)OCC1/C=C(\C)C(=O)O.
What is the InChIKey of (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid?
The InChIKey is UTEPGLSSWWMBOS-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14O4/c1-3-8-7(5-14-10(8)13)4-6(2)9(11)12/h4,7-8H,3,5H2,1-2H3,(H,11,12)/b6-4+.
What are the key properties of (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid?
(E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 141130679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).