zinc;dodecane;ethene

C14H28Zn — CID 140538317

IUPACzinc;dodecane;ethene
SMILES[CH2-]CCCCCCCCCCC.[H][C-]=C.[Zn+2]
InChIInChI=1S/C12H25.C2H3.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;1-2;/h1,3-12H2,2H3;1H,2H2;/q2*-1;+2
InChIKeyNBZUJOGZUOHTCQ-UHFFFAOYSA-N
MW261.77 g/mol
LogP5.34
Rot. Bonds9

About zinc;dodecane;ethene

zinc;dodecane;ethene (PubChem CID 140538317) has the molecular formula C14H28Zn and a molecular weight of 261.77 g/mol. Its IUPAC name is zinc;dodecane;ethene.

Molecular Properties

Compound Namezinc;dodecane;ethene
PubChem CID140538317
Molecular FormulaC14H28Zn
Molecular Weight261.77 g/mol
Exact Mass260.15
IUPAC Namezinc;dodecane;ethene
SMILES[CH2-]CCCCCCCCCCC.[H][C-]=C.[Zn+2]
InChIInChI=1S/C12H25.C2H3.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;1-2;/h1,3-12H2,2H3;1H,2H2;/q2*-1;+2
InChIKeyNBZUJOGZUOHTCQ-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.77
LogP ≤ 55.34
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

dilithium;ethene;octane
CID 174858869
zinc heptane
CID 4204916
zinc;decane;iodide
CID 24941167
heptadecane
CID 156905849
cerium;dodecane
CID 154114371
bis(octane);zinc
CID 175041964
dodecane;zirconium
CID 148549415
tris(heptane);vanadium
CID 59340167
lithium tridecane
CID 11321439
sodium tritriacontane
CID 150964196
tetrakis(heptane);zirconium(4+)
CID 154501032
tetrakis(dodecane);zirconium(4+)
CID 173426195

Frequently Asked Questions

What is the IUPAC name of zinc;dodecane;ethene?
The IUPAC name of zinc;dodecane;ethene (CID 140538317) is zinc;dodecane;ethene.
What is the SMILES notation for zinc;dodecane;ethene?
The canonical SMILES for zinc;dodecane;ethene is [CH2-]CCCCCCCCCCC.[H][C-]=C.[Zn+2].
What is the InChIKey of zinc;dodecane;ethene?
The InChIKey is NBZUJOGZUOHTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.C2H3.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;1-2;/h1,3-12H2,2H3;1H,2H2;/q2*-1;+2.
What are the key properties of zinc;dodecane;ethene?
zinc;dodecane;ethene has a molecular weight of 261.77 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;dodecane;ethene is sourced from PubChem (CID 140538317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).