octanedioic acid;zinc

C8H14O4Zn — CID 87285694

IUPACoctanedioic acid;zinc
SMILESO=C(O)CCCCCCC(=O)O.[Zn]
InChIInChI=1S/C8H14O4.Zn/c9-7(10)5-3-1-2-4-6-8(11)12;/h1-6H2,(H,9,10)(H,11,12);
InChIKeyUEOFCEONCFPUFO-UHFFFAOYSA-N
MW239.59 g/mol
LogP1.49
Rot. Bonds7

About octanedioic acid;zinc

octanedioic acid;zinc (PubChem CID 87285694) has the molecular formula C8H14O4Zn and a molecular weight of 239.59 g/mol. Its IUPAC name is octanedioic acid;zinc.

Molecular Properties

Compound Nameoctanedioic acid;zinc
PubChem CID87285694
Molecular FormulaC8H14O4Zn
Molecular Weight239.59 g/mol
Exact Mass238.02
IUPAC Nameoctanedioic acid;zinc
SMILESO=C(O)CCCCCCC(=O)O.[Zn]
InChIInChI=1S/C8H14O4.Zn/c9-7(10)5-3-1-2-4-6-8(11)12;/h1-6H2,(H,9,10)(H,11,12);
InChIKeyUEOFCEONCFPUFO-UHFFFAOYSA-N
XLogP1.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.59
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
calcium;decanedioic acid;hydride;zinc
CID 174761072
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of octanedioic acid;zinc?
The IUPAC name of octanedioic acid;zinc (CID 87285694) is octanedioic acid;zinc.
What is the SMILES notation for octanedioic acid;zinc?
The canonical SMILES for octanedioic acid;zinc is O=C(O)CCCCCCC(=O)O.[Zn].
What is the InChIKey of octanedioic acid;zinc?
The InChIKey is UEOFCEONCFPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.Zn/c9-7(10)5-3-1-2-4-6-8(11)12;/h1-6H2,(H,9,10)(H,11,12);.
What are the key properties of octanedioic acid;zinc?
octanedioic acid;zinc has a molecular weight of 239.59 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octanedioic acid;zinc is sourced from PubChem (CID 87285694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).