(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid

C6H8O5 — CID 6433994

IUPAC(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OCCO
InChIInChI=1S/C6H8O5/c7-3-4-11-6(10)2-1-5(8)9/h1-2,7H,3-4H2,(H,8,9)/b2-1-
InChIKeyMAIIXYUYRNFKPL-UPHRSURJSA-N
MW160.12 g/mol
LogP-0.84
Rot. Bonds4

About (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid

(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid (PubChem CID 6433994) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid
PubChem CID6433994
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OCCO
InChIInChI=1S/C6H8O5/c7-3-4-11-6(10)2-1-5(8)9/h1-2,7H,3-4H2,(H,8,9)/b2-1-
InChIKeyMAIIXYUYRNFKPL-UPHRSURJSA-N
XLogP-0.84
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
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 (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid (CID 6433994) is (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)OCCO.
What is the InChIKey of (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid?
The InChIKey is MAIIXYUYRNFKPL-UPHRSURJSA-N. The full InChI is InChI=1S/C6H8O5/c7-3-4-11-6(10)2-1-5(8)9/h1-2,7H,3-4H2,(H,8,9)/b2-1-.
What are the key properties of (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid?
(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid has a molecular weight of 160.12 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 6433994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).