cerium;tris(2-methylpropanoic acid)

C12H24CeO6 — CID 153360547

IUPACcerium;tris(2-methylpropanoic acid)
SMILESCC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.[Ce]
InChIInChI=1S/3C4H8O2.Ce/c3*1-3(2)4(5)6;/h3*3H,1-2H3,(H,5,6);
InChIKeyQTCTWDQJYNMBOO-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.18
Rot. Bonds3

About cerium;tris(2-methylpropanoic acid)

cerium;tris(2-methylpropanoic acid) (PubChem CID 153360547) has the molecular formula C12H24CeO6 and a molecular weight of 404.43 g/mol. Its IUPAC name is cerium;tris(2-methylpropanoic acid).

Molecular Properties

Compound Namecerium;tris(2-methylpropanoic acid)
PubChem CID153360547
Molecular FormulaC12H24CeO6
Molecular Weight404.43 g/mol
Exact Mass404.06
IUPAC Namecerium;tris(2-methylpropanoic acid)
SMILESCC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.[Ce]
InChIInChI=1S/3C4H8O2.Ce/c3*1-3(2)4(5)6;/h3*3H,1-2H3,(H,5,6);
InChIKeyQTCTWDQJYNMBOO-UHFFFAOYSA-N
XLogP2.18
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
dichloromethane;2-methylpropanoic acid
CID 161358956
2-methylpropanoic acid;sulfuric acid
CID 160710390
2-methylpropanoic acid;triiodovanadium
CID 158772262
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
cyclopropanol;2-methylpropanoic acid
CID 174792699

Frequently Asked Questions

What is the IUPAC name of cerium;tris(2-methylpropanoic acid)?
The IUPAC name of cerium;tris(2-methylpropanoic acid) (CID 153360547) is cerium;tris(2-methylpropanoic acid).
What is the SMILES notation for cerium;tris(2-methylpropanoic acid)?
The canonical SMILES for cerium;tris(2-methylpropanoic acid) is CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.[Ce].
What is the InChIKey of cerium;tris(2-methylpropanoic acid)?
The InChIKey is QTCTWDQJYNMBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H8O2.Ce/c3*1-3(2)4(5)6;/h3*3H,1-2H3,(H,5,6);.
What are the key properties of cerium;tris(2-methylpropanoic acid)?
cerium;tris(2-methylpropanoic acid) has a molecular weight of 404.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;tris(2-methylpropanoic acid) is sourced from PubChem (CID 153360547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).