cerium;nonanoic acid

C9H18CeO2 — CID 87682683

IUPACcerium;nonanoic acid
SMILESCCCCCCCCC(=O)O.[Ce]
InChIInChI=1S/C9H18O2.Ce/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);
InChIKeyFHBCYJLQIXKFGG-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.82
Rot. Bonds7

About cerium;nonanoic acid

cerium;nonanoic acid (PubChem CID 87682683) has the molecular formula C9H18CeO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is cerium;nonanoic acid.

Molecular Properties

Compound Namecerium;nonanoic acid
PubChem CID87682683
Molecular FormulaC9H18CeO2
Molecular Weight298.36 g/mol
Exact Mass298.04
IUPAC Namecerium;nonanoic acid
SMILESCCCCCCCCC(=O)O.[Ce]
InChIInChI=1S/C9H18O2.Ce/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);
InChIKeyFHBCYJLQIXKFGG-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of cerium;nonanoic acid?
The IUPAC name of cerium;nonanoic acid (CID 87682683) is cerium;nonanoic acid.
What is the SMILES notation for cerium;nonanoic acid?
The canonical SMILES for cerium;nonanoic acid is CCCCCCCCC(=O)O.[Ce].
What is the InChIKey of cerium;nonanoic acid?
The InChIKey is FHBCYJLQIXKFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.Ce/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);.
What are the key properties of cerium;nonanoic acid?
cerium;nonanoic acid has a molecular weight of 298.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;nonanoic acid is sourced from PubChem (CID 87682683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).