(Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid

C8H12O6 — CID 6433521

IUPAC(Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OCCOCCO
InChIInChI=1S/C8H12O6/c9-3-4-13-5-6-14-8(12)2-1-7(10)11/h1-2,9H,3-6H2,(H,10,11)/b2-1-
InChIKeyJHJLPMDWCPTBLD-UPHRSURJSA-N
MW204.18 g/mol
LogP-0.82
Rot. Bonds7

About (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid

(Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid (PubChem CID 6433521) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid
PubChem CID6433521
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name(Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OCCOCCO
InChIInChI=1S/C8H12O6/c9-3-4-13-5-6-14-8(12)2-1-7(10)11/h1-2,9H,3-6H2,(H,10,11)/b2-1-
InChIKeyJHJLPMDWCPTBLD-UPHRSURJSA-N
XLogP-0.82
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid (CID 6433521) is (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)OCCOCCO.
What is the InChIKey of (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid?
The InChIKey is JHJLPMDWCPTBLD-UPHRSURJSA-N. The full InChI is InChI=1S/C8H12O6/c9-3-4-13-5-6-14-8(12)2-1-7(10)11/h1-2,9H,3-6H2,(H,10,11)/b2-1-.
What are the key properties of (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid?
(Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid has a molecular weight of 204.18 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobut-2-enoic acid is sourced from PubChem (CID 6433521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).