lutetium;tris(prop-2-enoic acid)

C9H12LuO6 — CID 168865611

IUPAClutetium;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.[Lu]
InChIInChI=1S/3C3H4O2.Lu/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);
InChIKeyZKOXLNPKORRCEP-UHFFFAOYSA-N
MW391.16 g/mol
LogP0.77
Rot. Bonds3

About lutetium;tris(prop-2-enoic acid)

lutetium;tris(prop-2-enoic acid) (PubChem CID 168865611) has the molecular formula C9H12LuO6 and a molecular weight of 391.16 g/mol. Its IUPAC name is lutetium;tris(prop-2-enoic acid).

Molecular Properties

Compound Namelutetium;tris(prop-2-enoic acid)
PubChem CID168865611
Molecular FormulaC9H12LuO6
Molecular Weight391.16 g/mol
Exact Mass391.00
IUPAC Namelutetium;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.[Lu]
InChIInChI=1S/3C3H4O2.Lu/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);
InChIKeyZKOXLNPKORRCEP-UHFFFAOYSA-N
XLogP0.77
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.16
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lutetium;tris(prop-2-enoic acid)?
The IUPAC name of lutetium;tris(prop-2-enoic acid) (CID 168865611) is lutetium;tris(prop-2-enoic acid).
What is the SMILES notation for lutetium;tris(prop-2-enoic acid)?
The canonical SMILES for lutetium;tris(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.[Lu].
What is the InChIKey of lutetium;tris(prop-2-enoic acid)?
The InChIKey is ZKOXLNPKORRCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H4O2.Lu/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);.
What are the key properties of lutetium;tris(prop-2-enoic acid)?
lutetium;tris(prop-2-enoic acid) has a molecular weight of 391.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lutetium;tris(prop-2-enoic acid) is sourced from PubChem (CID 168865611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).