(Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate

C5H13O5Y+2 — CID 18003156

IUPAC(Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate
SMILESCC(=O)/C=C(/C)[O-].O.O.O.[Y+3]
InChIInChI=1S/C5H8O2.3H2O.Y/c1-4(6)3-5(2)7;;;;/h3,6H,1-2H3;3*1H2;/q;;;;+3/p-1/b4-3-;;;;
InChIKeyCOEXKBDROGUMTC-PHSMJEINSA-M
MW242.06 g/mol
LogP-2.64
Rot. Bonds1

About (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate

(Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate (PubChem CID 18003156) has the molecular formula C5H13O5Y+2 and a molecular weight of 242.06 g/mol. Its IUPAC name is (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate.

Molecular Properties

Compound Name(Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate
PubChem CID18003156
Molecular FormulaC5H13O5Y+2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name(Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate
SMILESCC(=O)/C=C(/C)[O-].O.O.O.[Y+3]
InChIInChI=1S/C5H8O2.3H2O.Y/c1-4(6)3-5(2)7;;;;/h3,6H,1-2H3;3*1H2;/q;;;;+3/p-1/b4-3-;;;;
InChIKeyCOEXKBDROGUMTC-PHSMJEINSA-M
XLogP-2.64
TPSA134.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 5-2.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-oxopent-2-en-2-olate;yttrium(3+);trihydrate?
The IUPAC name of (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate (CID 18003156) is (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate.
What is the SMILES notation for (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate?
The canonical SMILES for (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate is CC(=O)/C=C(/C)[O-].O.O.O.[Y+3].
What is the InChIKey of (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate?
The InChIKey is COEXKBDROGUMTC-PHSMJEINSA-M. The full InChI is InChI=1S/C5H8O2.3H2O.Y/c1-4(6)3-5(2)7;;;;/h3,6H,1-2H3;3*1H2;/q;;;;+3/p-1/b4-3-;;;;.
What are the key properties of (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate?
(Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate has a molecular weight of 242.06 g/mol, XLogP of -2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate is sourced from PubChem (CID 18003156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).