cerium;dodecane

C12H25Ce- — CID 154114371

IUPACcerium;dodecane
SMILES[CH2-]CCCCCCCCCCC.[Ce]
InChIInChI=1S/C12H25.Ce/c1-3-5-7-9-11-12-10-8-6-4-2;/h1,3-12H2,2H3;/q-1;
InChIKeyDAWMQLVQRITXSJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.74
Rot. Bonds9

About cerium;dodecane

cerium;dodecane (PubChem CID 154114371) has the molecular formula C12H25Ce- and a molecular weight of 309.45 g/mol. Its IUPAC name is cerium;dodecane.

Molecular Properties

Compound Namecerium;dodecane
PubChem CID154114371
Molecular FormulaC12H25Ce-
Molecular Weight309.45 g/mol
Exact Mass309.10
IUPAC Namecerium;dodecane
SMILES[CH2-]CCCCCCCCCCC.[Ce]
InChIInChI=1S/C12H25.Ce/c1-3-5-7-9-11-12-10-8-6-4-2;/h1,3-12H2,2H3;/q-1;
InChIKeyDAWMQLVQRITXSJ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptadecane
CID 156905849
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
tetrakis(heptane);zirconium(4+)
CID 154501032
sodium tritriacontane
CID 150964196
lithium tridecane
CID 11321439
lithium heptadecane
CID 12950399
manganese;tetradecane
CID 173260191
tetrakis(dodecane);zirconium(4+)
CID 173426195
hafnium(4+);nonane;trihydroxide
CID 172731149

Frequently Asked Questions

What is the IUPAC name of cerium;dodecane?
The IUPAC name of cerium;dodecane (CID 154114371) is cerium;dodecane.
What is the SMILES notation for cerium;dodecane?
The canonical SMILES for cerium;dodecane is [CH2-]CCCCCCCCCCC.[Ce].
What is the InChIKey of cerium;dodecane?
The InChIKey is DAWMQLVQRITXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Ce/c1-3-5-7-9-11-12-10-8-6-4-2;/h1,3-12H2,2H3;/q-1;.
What are the key properties of cerium;dodecane?
cerium;dodecane has a molecular weight of 309.45 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;dodecane is sourced from PubChem (CID 154114371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).