dodecane;zinc

C12H25Zn- — CID 173211803

IUPACdodecane;zinc
SMILESCCC[CH-]CCCCCCCC.[Zn]
InChIInChI=1S/C12H25.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;/h7H,3-6,8-12H2,1-2H3;/q-1;
InChIKeyVGYAJECYSIVIKD-UHFFFAOYSA-N
MW234.72 g/mol
LogP4.74
Rot. Bonds9

About dodecane;zinc

dodecane;zinc (PubChem CID 173211803) has the molecular formula C12H25Zn- and a molecular weight of 234.72 g/mol. Its IUPAC name is dodecane;zinc.

Molecular Properties

Compound Namedodecane;zinc
PubChem CID173211803
Molecular FormulaC12H25Zn-
Molecular Weight234.72 g/mol
Exact Mass233.13
IUPAC Namedodecane;zinc
SMILESCCC[CH-]CCCCCCCC.[Zn]
InChIInChI=1S/C12H25.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;/h7H,3-6,8-12H2,1-2H3;/q-1;
InChIKeyVGYAJECYSIVIKD-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 ≤ 500234.72
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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sodium;sulfuric acid;tetracosane
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dictane
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hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447
henoctacontane
CID 22086342
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of dodecane;zinc?
The IUPAC name of dodecane;zinc (CID 173211803) is dodecane;zinc.
What is the SMILES notation for dodecane;zinc?
The canonical SMILES for dodecane;zinc is CCC[CH-]CCCCCCCC.[Zn].
What is the InChIKey of dodecane;zinc?
The InChIKey is VGYAJECYSIVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;/h7H,3-6,8-12H2,1-2H3;/q-1;.
What are the key properties of dodecane;zinc?
dodecane;zinc has a molecular weight of 234.72 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;zinc is sourced from PubChem (CID 173211803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).