azane;octadecanoic acid;zinc

C18H39NO2Zn — CID 175418700

IUPACazane;octadecanoic acid;zinc
SMILESCCCCCCCCCCCCCCCCCC(=O)O.N.[Zn]
InChIInChI=1S/C18H36O2.H3N.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);1H3;
InChIKeyPCVUWUPEKUUWAU-UHFFFAOYSA-N
MW366.91 g/mol
LogP6.49
Rot. Bonds16

About azane;octadecanoic acid;zinc

azane;octadecanoic acid;zinc (PubChem CID 175418700) has the molecular formula C18H39NO2Zn and a molecular weight of 366.91 g/mol. Its IUPAC name is azane;octadecanoic acid;zinc.

Molecular Properties

Compound Nameazane;octadecanoic acid;zinc
PubChem CID175418700
Molecular FormulaC18H39NO2Zn
Molecular Weight366.91 g/mol
Exact Mass365.23
IUPAC Nameazane;octadecanoic acid;zinc
SMILESCCCCCCCCCCCCCCCCCC(=O)O.N.[Zn]
InChIInChI=1S/C18H36O2.H3N.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);1H3;
InChIKeyPCVUWUPEKUUWAU-UHFFFAOYSA-N
XLogP6.49
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.91
LogP ≤ 56.49
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

azane;bis(dodecanoic acid)
CID 173380144
azane;hexacosanoic acid
CID 173436690
octadecane;octadecanoic acid;zinc
CID 175089240
bis(decanoic acid);zinc
CID 118855949
cobalt;bis(hexadecanoic acid);zinc
CID 173044903
methanol;octadecanoic acid;zinc
CID 163303961
iron;octadecanoic acid;zinc
CID 173220720
hexakis(octadecanoic acid);zinc;zirconium
CID 138753420
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
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of azane;octadecanoic acid;zinc?
The IUPAC name of azane;octadecanoic acid;zinc (CID 175418700) is azane;octadecanoic acid;zinc.
What is the SMILES notation for azane;octadecanoic acid;zinc?
The canonical SMILES for azane;octadecanoic acid;zinc is CCCCCCCCCCCCCCCCCC(=O)O.N.[Zn].
What is the InChIKey of azane;octadecanoic acid;zinc?
The InChIKey is PCVUWUPEKUUWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.H3N.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);1H3;.
What are the key properties of azane;octadecanoic acid;zinc?
azane;octadecanoic acid;zinc has a molecular weight of 366.91 g/mol, XLogP of 6.49, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;octadecanoic acid;zinc is sourced from PubChem (CID 175418700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).