zinc;hexadecanoic acid;oxygen(2-)

C16H32O3Zn — CID 161292069

IUPACzinc;hexadecanoic acid;oxygen(2-)
SMILESCCCCCCCCCCCCCCCC(=O)O.[O-2].[Zn+2]
InChIInChI=1S/C16H32O2.O.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2-15H2,1H3,(H,17,18);;/q;-2;+2
InChIKeyVGMDWIVNKKKIDP-UHFFFAOYSA-N
MW337.82 g/mol
LogP5.43
Rot. Bonds14

About zinc;hexadecanoic acid;oxygen(2-)

zinc;hexadecanoic acid;oxygen(2-) (PubChem CID 161292069) has the molecular formula C16H32O3Zn and a molecular weight of 337.82 g/mol. Its IUPAC name is zinc;hexadecanoic acid;oxygen(2-).

Molecular Properties

Compound Namezinc;hexadecanoic acid;oxygen(2-)
PubChem CID161292069
Molecular FormulaC16H32O3Zn
Molecular Weight337.82 g/mol
Exact Mass336.16
IUPAC Namezinc;hexadecanoic acid;oxygen(2-)
SMILESCCCCCCCCCCCCCCCC(=O)O.[O-2].[Zn+2]
InChIInChI=1S/C16H32O2.O.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2-15H2,1H3,(H,17,18);;/q;-2;+2
InChIKeyVGMDWIVNKKKIDP-UHFFFAOYSA-N
XLogP5.43
TPSA65.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.82
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of zinc;hexadecanoic acid;oxygen(2-)?
The IUPAC name of zinc;hexadecanoic acid;oxygen(2-) (CID 161292069) is zinc;hexadecanoic acid;oxygen(2-).
What is the SMILES notation for zinc;hexadecanoic acid;oxygen(2-)?
The canonical SMILES for zinc;hexadecanoic acid;oxygen(2-) is CCCCCCCCCCCCCCCC(=O)O.[O-2].[Zn+2].
What is the InChIKey of zinc;hexadecanoic acid;oxygen(2-)?
The InChIKey is VGMDWIVNKKKIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.O.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2-15H2,1H3,(H,17,18);;/q;-2;+2.
What are the key properties of zinc;hexadecanoic acid;oxygen(2-)?
zinc;hexadecanoic acid;oxygen(2-) has a molecular weight of 337.82 g/mol, XLogP of 5.43, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;hexadecanoic acid;oxygen(2-) is sourced from PubChem (CID 161292069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).