bis(decanoic acid);zinc

C20H40O4Zn — CID 118855949

IUPACbis(decanoic acid);zinc
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.[Zn]
InChIInChI=1S/2C10H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);
InChIKeySZSKSDNKLVWNFV-UHFFFAOYSA-N
MW409.93 g/mol
LogP6.42
Rot. Bonds16

About bis(decanoic acid);zinc

bis(decanoic acid);zinc (PubChem CID 118855949) has the molecular formula C20H40O4Zn and a molecular weight of 409.93 g/mol. Its IUPAC name is bis(decanoic acid);zinc.

Molecular Properties

Compound Namebis(decanoic acid);zinc
PubChem CID118855949
Molecular FormulaC20H40O4Zn
Molecular Weight409.93 g/mol
Exact Mass408.22
IUPAC Namebis(decanoic acid);zinc
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.[Zn]
InChIInChI=1S/2C10H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);
InChIKeySZSKSDNKLVWNFV-UHFFFAOYSA-N
XLogP6.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.93
LogP ≤ 56.42
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

octadecane;octadecanoic acid;zinc
CID 175089240
methanol;octadecanoic acid;zinc
CID 163303961
azane;octadecanoic acid;zinc
CID 175418700
iron;octadecanoic acid;zinc
CID 173220720
cobalt;bis(hexadecanoic acid);zinc
CID 173044903
hexakis(octadecanoic acid);zinc;zirconium
CID 138753420
henicosane;tetracontanoic acid
CID 175935348
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521

Frequently Asked Questions

What is the IUPAC name of bis(decanoic acid);zinc?
The IUPAC name of bis(decanoic acid);zinc (CID 118855949) is bis(decanoic acid);zinc.
What is the SMILES notation for bis(decanoic acid);zinc?
The canonical SMILES for bis(decanoic acid);zinc is CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.[Zn].
What is the InChIKey of bis(decanoic acid);zinc?
The InChIKey is SZSKSDNKLVWNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);.
What are the key properties of bis(decanoic acid);zinc?
bis(decanoic acid);zinc has a molecular weight of 409.93 g/mol, XLogP of 6.42, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(decanoic acid);zinc is sourced from PubChem (CID 118855949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).