carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)

C11H20O6Y2-8 — CID 58219833

IUPACcarbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)
SMILESO=[C-]CCC[C-]=O.O=[C-]O.O=[C-]O.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C5H6O2.2CHO2.4CH3.2Y/c6-4-2-1-3-5-7;2*2-1-3;;;;;;/h1-3H2;2*(H,2,3);4*1H3;;/q-2;6*-1;;
InChIKeyBEMFZXKOHYHWLU-UHFFFAOYSA-N
MW426.09 g/mol
LogP1.40
Rot. Bonds4

About carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)

carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium) (PubChem CID 58219833) has the molecular formula C11H20O6Y2-8 and a molecular weight of 426.09 g/mol. Its IUPAC name is carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium).

Molecular Properties

Compound Namecarbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)
PubChem CID58219833
Molecular FormulaC11H20O6Y2-8
Molecular Weight426.09 g/mol
Exact Mass425.94
IUPAC Namecarbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)
SMILESO=[C-]CCC[C-]=O.O=[C-]O.O=[C-]O.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C5H6O2.2CHO2.4CH3.2Y/c6-4-2-1-3-5-7;2*2-1-3;;;;;;/h1-3H2;2*(H,2,3);4*1H3;;/q-2;6*-1;;
InChIKeyBEMFZXKOHYHWLU-UHFFFAOYSA-N
XLogP1.40
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.09
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)?
The IUPAC name of carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium) (CID 58219833) is carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium).
What is the SMILES notation for carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)?
The canonical SMILES for carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium) is O=[C-]CCC[C-]=O.O=[C-]O.O=[C-]O.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)?
The InChIKey is BEMFZXKOHYHWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.2CHO2.4CH3.2Y/c6-4-2-1-3-5-7;2*2-1-3;;;;;;/h1-3H2;2*(H,2,3);4*1H3;;/q-2;6*-1;;.
What are the key properties of carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium)?
carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium) has a molecular weight of 426.09 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hydroxymethanone;pentane-1,5-dione;bis(yttrium) is sourced from PubChem (CID 58219833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).