carbanide;cerium;cerium(3+);methanol;dihydrate

C8H29Ce3O3-4 — CID 170687555

IUPACcarbanide;cerium;cerium(3+);methanol;dihydrate
SMILESCO.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ce+3].[Ce].[Ce]
InChIInChI=1S/CH4O.7CH3.3Ce.2H2O/c1-2;;;;;;;;;;;;/h2H,1H3;7*1H3;;;;2*1H2/q;7*-1;;;+3;;
InChIKeyCBTPGIBWIMGRLT-UHFFFAOYSA-N
MW593.67 g/mol
LogP1.11
Rot. Bonds

About carbanide;cerium;cerium(3+);methanol;dihydrate

carbanide;cerium;cerium(3+);methanol;dihydrate (PubChem CID 170687555) has the molecular formula C8H29Ce3O3-4 and a molecular weight of 593.67 g/mol. Its IUPAC name is carbanide;cerium;cerium(3+);methanol;dihydrate.

Molecular Properties

Compound Namecarbanide;cerium;cerium(3+);methanol;dihydrate
PubChem CID170687555
Molecular FormulaC8H29Ce3O3-4
Molecular Weight593.67 g/mol
Exact Mass592.93
IUPAC Namecarbanide;cerium;cerium(3+);methanol;dihydrate
SMILESCO.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ce+3].[Ce].[Ce]
InChIInChI=1S/CH4O.7CH3.3Ce.2H2O/c1-2;;;;;;;;;;;;/h2H,1H3;7*1H3;;;;2*1H2/q;7*-1;;;+3;;
InChIKeyCBTPGIBWIMGRLT-UHFFFAOYSA-N
XLogP1.11
TPSA83.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.67
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 159883515
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carbanide;methanol;tris(rhodium);uranium;hydrate
CID 162705592
cerium;methanol;zirconium
CID 161136747
methanol;zirconium;dihydrate
CID 164789289
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CID 172828589
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CID 172693802
actinium;methanol;hydrate
CID 158159857
manganese;methanol;hydrate
CID 175350190
gadolinium;methanol
CID 118647250
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CID 158655095

Frequently Asked Questions

What is the IUPAC name of carbanide;cerium;cerium(3+);methanol;dihydrate?
The IUPAC name of carbanide;cerium;cerium(3+);methanol;dihydrate (CID 170687555) is carbanide;cerium;cerium(3+);methanol;dihydrate.
What is the SMILES notation for carbanide;cerium;cerium(3+);methanol;dihydrate?
The canonical SMILES for carbanide;cerium;cerium(3+);methanol;dihydrate is CO.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ce+3].[Ce].[Ce].
What is the InChIKey of carbanide;cerium;cerium(3+);methanol;dihydrate?
The InChIKey is CBTPGIBWIMGRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.7CH3.3Ce.2H2O/c1-2;;;;;;;;;;;;/h2H,1H3;7*1H3;;;;2*1H2/q;7*-1;;;+3;;.
What are the key properties of carbanide;cerium;cerium(3+);methanol;dihydrate?
carbanide;cerium;cerium(3+);methanol;dihydrate has a molecular weight of 593.67 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cerium;cerium(3+);methanol;dihydrate is sourced from PubChem (CID 170687555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).