cerium;bis(prop-2-enoic acid)

C6H8CeO4 — CID 169316659

IUPACcerium;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.[Ce]
InChIInChI=1S/2C3H4O2.Ce/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);
InChIKeyLPYHXGUZIQXMBW-UHFFFAOYSA-N
MW284.24 g/mol
LogP0.51
Rot. Bonds2

About cerium;bis(prop-2-enoic acid)

cerium;bis(prop-2-enoic acid) (PubChem CID 169316659) has the molecular formula C6H8CeO4 and a molecular weight of 284.24 g/mol. Its IUPAC name is cerium;bis(prop-2-enoic acid).

Molecular Properties

Compound Namecerium;bis(prop-2-enoic acid)
PubChem CID169316659
Molecular FormulaC6H8CeO4
Molecular Weight284.24 g/mol
Exact Mass283.95
IUPAC Namecerium;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.[Ce]
InChIInChI=1S/2C3H4O2.Ce/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);
InChIKeyLPYHXGUZIQXMBW-UHFFFAOYSA-N
XLogP0.51
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
iron(2+);prop-2-enoic acid
CID 10290804
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
methanol;prop-2-enoic acid
CID 159043362
calcium;prop-2-enoic acid;dichloride
CID 172857747
potassium;prop-2-enoic acid;hydroxide
CID 23712932

Frequently Asked Questions

What is the IUPAC name of cerium;bis(prop-2-enoic acid)?
The IUPAC name of cerium;bis(prop-2-enoic acid) (CID 169316659) is cerium;bis(prop-2-enoic acid).
What is the SMILES notation for cerium;bis(prop-2-enoic acid)?
The canonical SMILES for cerium;bis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.[Ce].
What is the InChIKey of cerium;bis(prop-2-enoic acid)?
The InChIKey is LPYHXGUZIQXMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4O2.Ce/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);.
What are the key properties of cerium;bis(prop-2-enoic acid)?
cerium;bis(prop-2-enoic acid) has a molecular weight of 284.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;bis(prop-2-enoic acid) is sourced from PubChem (CID 169316659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).