(E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid

C10H14O5 — CID 18375947

IUPAC(E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid
SMILESCC(OC(=O)/C=C/C(=O)O)C1CCCO1
InChIInChI=1S/C10H14O5/c1-7(8-3-2-6-14-8)15-10(13)5-4-9(11)12/h4-5,7-8H,2-3,6H2,1H3,(H,11,12)/b5-4+
InChIKeyILPDROSIIWGXHH-SNAWJCMRSA-N
MW214.22 g/mol
LogP0.74
Rot. Bonds4

About (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid

(E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid (PubChem CID 18375947) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid
PubChem CID18375947
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid
SMILESCC(OC(=O)/C=C/C(=O)O)C1CCCO1
InChIInChI=1S/C10H14O5/c1-7(8-3-2-6-14-8)15-10(13)5-4-9(11)12/h4-5,7-8H,2-3,6H2,1H3,(H,11,12)/b5-4+
InChIKeyILPDROSIIWGXHH-SNAWJCMRSA-N
XLogP0.74
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid 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

[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346
4-(1-cyclopropylethoxy)-4-oxobut-2-enoic acid
CID 171145916
(E)-4-oxo-4-[1-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 43533859
2-(1-hydroperoxyethyl)oxolane
CID 59270511
1-[(2S)-oxolan-2-yl]ethyl formate
CID 174825731
4-oxo-4-(oxolan-2-ylmethoxy)but-2-enoic acid
CID 2827336
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005
3-(oxolan-2-yl)butanoic acid
CID 3727496
(E)-4-(3-methylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88603317
(E)-5-(oxan-2-yloxy)-4-oxohex-2-enoic acid
CID 10823217
[ethoxy(oxolan-2-yl)methyl] prop-2-enoate
CID 175540639
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid?
The IUPAC name of (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid (CID 18375947) is (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid.
What is the SMILES notation for (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid?
The canonical SMILES for (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid is CC(OC(=O)/C=C/C(=O)O)C1CCCO1.
What is the InChIKey of (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid?
The InChIKey is ILPDROSIIWGXHH-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(8-3-2-6-14-8)15-10(13)5-4-9(11)12/h4-5,7-8H,2-3,6H2,1H3,(H,11,12)/b5-4+.
What are the key properties of (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid?
(E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid is sourced from PubChem (CID 18375947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).