bis(octane);zinc

C16H34Zn2-2 — CID 175041964

IUPACbis(octane);zinc
SMILES[CH2-]CCCCCCC.[CH2-]CCCCCCC.[Zn].[Zn]
InChIInChI=1S/2C8H17.2Zn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;/q2*-1;;
InChIKeyOHLFNPMZLQCUFF-UHFFFAOYSA-N
MW357.23 g/mol
LogP6.36
Rot. Bonds10

About bis(octane);zinc

bis(octane);zinc (PubChem CID 175041964) has the molecular formula C16H34Zn2-2 and a molecular weight of 357.23 g/mol. Its IUPAC name is bis(octane);zinc.

Molecular Properties

Compound Namebis(octane);zinc
PubChem CID175041964
Molecular FormulaC16H34Zn2-2
Molecular Weight357.23 g/mol
Exact Mass354.13
IUPAC Namebis(octane);zinc
SMILES[CH2-]CCCCCCC.[CH2-]CCCCCCC.[Zn].[Zn]
InChIInChI=1S/2C8H17.2Zn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;/q2*-1;;
InChIKeyOHLFNPMZLQCUFF-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.23
LogP ≤ 56.36
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

heptadecane
CID 156905849
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
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
magnesium;octane;propane
CID 140617216

Frequently Asked Questions

What is the IUPAC name of bis(octane);zinc?
The IUPAC name of bis(octane);zinc (CID 175041964) is bis(octane);zinc.
What is the SMILES notation for bis(octane);zinc?
The canonical SMILES for bis(octane);zinc is [CH2-]CCCCCCC.[CH2-]CCCCCCC.[Zn].[Zn].
What is the InChIKey of bis(octane);zinc?
The InChIKey is OHLFNPMZLQCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.2Zn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;/q2*-1;;.
What are the key properties of bis(octane);zinc?
bis(octane);zinc has a molecular weight of 357.23 g/mol, XLogP of 6.36, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(octane);zinc is sourced from PubChem (CID 175041964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).