europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol

C16H36EuN4O4 — CID 59886285

IUPACeuropium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
SMILESOCCN1CCN(CCO)CCN(CCO)CCN(CCO)CC1.[Eu]
InChIInChI=1S/C16H36N4O4.Eu/c21-13-9-17-1-2-18(10-14-22)5-6-20(12-16-24)8-7-19(4-3-17)11-15-23;/h21-24H,1-16H2;
InChIKeyRYLRUQQTNHCFGV-UHFFFAOYSA-N
MW500.45 g/mol
LogP-2.82
Rot. Bonds8

About europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol

europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol (PubChem CID 59886285) has the molecular formula C16H36EuN4O4 and a molecular weight of 500.45 g/mol. Its IUPAC name is europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol.

Molecular Properties

Compound Nameeuropium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
PubChem CID59886285
Molecular FormulaC16H36EuN4O4
Molecular Weight500.45 g/mol
Exact Mass501.19
IUPAC Nameeuropium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
SMILESOCCN1CCN(CCO)CCN(CCO)CCN(CCO)CC1.[Eu]
InChIInChI=1S/C16H36N4O4.Eu/c21-13-9-17-1-2-18(10-14-22)5-6-20(12-16-24)8-7-19(4-3-17)11-15-23;/h21-24H,1-16H2;
InChIKeyRYLRUQQTNHCFGV-UHFFFAOYSA-N
XLogP-2.82
TPSA93.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.45
LogP ≤ 5-2.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol?
The IUPAC name of europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol (CID 59886285) is europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol.
What is the SMILES notation for europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol?
The canonical SMILES for europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol is OCCN1CCN(CCO)CCN(CCO)CCN(CCO)CC1.[Eu].
What is the InChIKey of europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol?
The InChIKey is RYLRUQQTNHCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O4.Eu/c21-13-9-17-1-2-18(10-14-22)5-6-20(12-16-24)8-7-19(4-3-17)11-15-23;/h21-24H,1-16H2;.
What are the key properties of europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol?
europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol has a molecular weight of 500.45 g/mol, XLogP of -2.82, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for europium;2-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol is sourced from PubChem (CID 59886285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).