europium(3+);hexanoyl hexanoate;trichloride

C12H22Cl3EuO3 — CID 174528713

IUPACeuropium(3+);hexanoyl hexanoate;trichloride
SMILESCCCCCC(=O)OC(=O)CCCCC.[Cl-].[Cl-].[Cl-].[Eu+3]
InChIInChI=1S/C12H22O3.3ClH.Eu/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2;;;;/h3-10H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeySCBYFRSKYYWRDF-UHFFFAOYSA-K
MW472.63 g/mol
LogP-5.77
Rot. Bonds8

About europium(3+);hexanoyl hexanoate;trichloride

europium(3+);hexanoyl hexanoate;trichloride (PubChem CID 174528713) has the molecular formula C12H22Cl3EuO3 and a molecular weight of 472.63 g/mol. Its IUPAC name is europium(3+);hexanoyl hexanoate;trichloride.

Molecular Properties

Compound Nameeuropium(3+);hexanoyl hexanoate;trichloride
PubChem CID174528713
Molecular FormulaC12H22Cl3EuO3
Molecular Weight472.63 g/mol
Exact Mass471.98
IUPAC Nameeuropium(3+);hexanoyl hexanoate;trichloride
SMILESCCCCCC(=O)OC(=O)CCCCC.[Cl-].[Cl-].[Cl-].[Eu+3]
InChIInChI=1S/C12H22O3.3ClH.Eu/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2;;;;/h3-10H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeySCBYFRSKYYWRDF-UHFFFAOYSA-K
XLogP-5.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 5-5.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
dipentanoyl hexanedioate
CID 174373362
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
dodecanoyl dodecanoate;ethanol
CID 157135932
sodium;hydride;octanoyl octadecanoate
CID 173299765
dimagnesium;hydride;octanoyl nonanoate
CID 173350216

Frequently Asked Questions

What is the IUPAC name of europium(3+);hexanoyl hexanoate;trichloride?
The IUPAC name of europium(3+);hexanoyl hexanoate;trichloride (CID 174528713) is europium(3+);hexanoyl hexanoate;trichloride.
What is the SMILES notation for europium(3+);hexanoyl hexanoate;trichloride?
The canonical SMILES for europium(3+);hexanoyl hexanoate;trichloride is CCCCCC(=O)OC(=O)CCCCC.[Cl-].[Cl-].[Cl-].[Eu+3].
What is the InChIKey of europium(3+);hexanoyl hexanoate;trichloride?
The InChIKey is SCBYFRSKYYWRDF-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H22O3.3ClH.Eu/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2;;;;/h3-10H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of europium(3+);hexanoyl hexanoate;trichloride?
europium(3+);hexanoyl hexanoate;trichloride has a molecular weight of 472.63 g/mol, XLogP of -5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);hexanoyl hexanoate;trichloride is sourced from PubChem (CID 174528713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).