dodecane;zirconium

C12H25Zr- — CID 148549415

IUPACdodecane;zirconium
SMILES[CH2-]CCCCCCCCCCC.[Zr]
InChIInChI=1S/C12H25.Zr/c1-3-5-7-9-11-12-10-8-6-4-2;/h1,3-12H2,2H3;/q-1;
InChIKeyDSMXVQQKRLLTRG-UHFFFAOYSA-N
MW260.56 g/mol
LogP4.74
Rot. Bonds9

About dodecane;zirconium

dodecane;zirconium (PubChem CID 148549415) has the molecular formula C12H25Zr- and a molecular weight of 260.56 g/mol. Its IUPAC name is dodecane;zirconium.

Molecular Properties

Compound Namedodecane;zirconium
PubChem CID148549415
Molecular FormulaC12H25Zr-
Molecular Weight260.56 g/mol
Exact Mass259.10
IUPAC Namedodecane;zirconium
SMILES[CH2-]CCCCCCCCCCC.[Zr]
InChIInChI=1S/C12H25.Zr/c1-3-5-7-9-11-12-10-8-6-4-2;/h1,3-12H2,2H3;/q-1;
InChIKeyDSMXVQQKRLLTRG-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 ≤ 500260.56
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
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
lithium tridecane
CID 11321439
tetrakis(heptane);zirconium(4+)
CID 154501032
sodium tritriacontane
CID 150964196
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 dodecane;zirconium?
The IUPAC name of dodecane;zirconium (CID 148549415) is dodecane;zirconium.
What is the SMILES notation for dodecane;zirconium?
The canonical SMILES for dodecane;zirconium is [CH2-]CCCCCCCCCCC.[Zr].
What is the InChIKey of dodecane;zirconium?
The InChIKey is DSMXVQQKRLLTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Zr/c1-3-5-7-9-11-12-10-8-6-4-2;/h1,3-12H2,2H3;/q-1;.
What are the key properties of dodecane;zirconium?
dodecane;zirconium has a molecular weight of 260.56 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 dodecane;zirconium is sourced from PubChem (CID 148549415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).