decanoate;lanthanum(3+)

C10H19LaO2+2 — CID 21139452

IUPACdecanoate;lanthanum(3+)
SMILESCCCCCCCCCC(=O)[O-].[La+3]
InChIInChI=1S/C10H20O2.La/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+3/p-1
InChIKeyVOEVDNGUAORBPA-UHFFFAOYSA-M
MW310.17 g/mol
LogP1.88
Rot. Bonds8

About decanoate;lanthanum(3+)

decanoate;lanthanum(3+) (PubChem CID 21139452) has the molecular formula C10H19LaO2+2 and a molecular weight of 310.17 g/mol. Its IUPAC name is decanoate;lanthanum(3+).

Molecular Properties

Compound Namedecanoate;lanthanum(3+)
PubChem CID21139452
Molecular FormulaC10H19LaO2+2
Molecular Weight310.17 g/mol
Exact Mass310.04
IUPAC Namedecanoate;lanthanum(3+)
SMILESCCCCCCCCCC(=O)[O-].[La+3]
InChIInChI=1S/C10H20O2.La/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+3/p-1
InChIKeyVOEVDNGUAORBPA-UHFFFAOYSA-M
XLogP1.88
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of decanoate;lanthanum(3+)?
The IUPAC name of decanoate;lanthanum(3+) (CID 21139452) is decanoate;lanthanum(3+).
What is the SMILES notation for decanoate;lanthanum(3+)?
The canonical SMILES for decanoate;lanthanum(3+) is CCCCCCCCCC(=O)[O-].[La+3].
What is the InChIKey of decanoate;lanthanum(3+)?
The InChIKey is VOEVDNGUAORBPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O2.La/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+3/p-1.
What are the key properties of decanoate;lanthanum(3+)?
decanoate;lanthanum(3+) has a molecular weight of 310.17 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanoate;lanthanum(3+) is sourced from PubChem (CID 21139452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).