(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate

C6H7O5- — CID 59904350

IUPAC(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate
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)/p-1/b2-1-
InChIKeyMAIIXYUYRNFKPL-UPHRSURJSA-M
MW159.12 g/mol
LogP-2.17
Rot. Bonds4

About (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate

(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate (PubChem CID 59904350) has the molecular formula C6H7O5- and a molecular weight of 159.12 g/mol. Its IUPAC name is (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate.

Molecular Properties

Compound Name(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate
PubChem CID59904350
Molecular FormulaC6H7O5-
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Name(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate
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)/p-1/b2-1-
InChIKeyMAIIXYUYRNFKPL-UPHRSURJSA-M
XLogP-2.17
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-2.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxyethyl) (E)-but-2-enedioate
CID 14094562
zinc bis(4-(2-methoxyethoxy)-4-oxobut-2-enoate)
CID 162085133
strontium bis((E)-4-oxo-4-propoxybut-2-enoate)
CID 11524184
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
2-[2-(dimethylamino)ethoxy]ethyl-dimethylazanium;(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate
CID 91357115
4-O-(2,2-dimethylpropyl) 1-O-(2-hydroxyethyl) (Z)-but-2-enedioate
CID 88604721
cadmium;(Z)-4-ethoxy-4-oxobut-2-enoate
CID 175407856
calcium (E)-4-ethoxy-4-oxobut-2-enoate
CID 22568505
zinc bis((Z)-4-decoxy-4-oxobut-2-enoate)
CID 101277118
cadmium(2+);bis((Z)-4-decoxy-4-oxobut-2-enoate)
CID 101277104
strontium bis(4-dodecoxy-4-oxobut-2-enoate)
CID 173326480
sodium (E)-4-dodecoxy-4-oxobut-2-enoate
CID 23706298

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate?
The IUPAC name of (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate (CID 59904350) is (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate.
What is the SMILES notation for (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate?
The canonical SMILES for (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate is O=C([O-])/C=C\C(=O)OCCO.
What is the InChIKey of (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate?
The InChIKey is MAIIXYUYRNFKPL-UPHRSURJSA-M. 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)/p-1/b2-1-.
What are the key properties of (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate?
(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate has a molecular weight of 159.12 g/mol, XLogP of -2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate is sourced from PubChem (CID 59904350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).