methanol;octadecanoic acid;zinc

C19H40O3Zn — CID 163303961

IUPACmethanol;octadecanoic acid;zinc
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CO.[Zn]
InChIInChI=1S/C18H36O2.CH4O.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2;/h2-17H2,1H3,(H,19,20);2H,1H3;
InChIKeyJEYQTIRVZLHTQL-UHFFFAOYSA-N
MW381.92 g/mol
LogP5.94
Rot. Bonds16

About methanol;octadecanoic acid;zinc

methanol;octadecanoic acid;zinc (PubChem CID 163303961) has the molecular formula C19H40O3Zn and a molecular weight of 381.92 g/mol. Its IUPAC name is methanol;octadecanoic acid;zinc.

Molecular Properties

Compound Namemethanol;octadecanoic acid;zinc
PubChem CID163303961
Molecular FormulaC19H40O3Zn
Molecular Weight381.92 g/mol
Exact Mass380.23
IUPAC Namemethanol;octadecanoic acid;zinc
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CO.[Zn]
InChIInChI=1S/C18H36O2.CH4O.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2;/h2-17H2,1H3,(H,19,20);2H,1H3;
InChIKeyJEYQTIRVZLHTQL-UHFFFAOYSA-N
XLogP5.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.92
LogP ≤ 55.94
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

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CID 175089240
bis(decanoic acid);zinc
CID 118855949
azane;octadecanoic acid;zinc
CID 175418700
iron;octadecanoic acid;zinc
CID 173220720
cobalt;bis(hexadecanoic acid);zinc
CID 173044903
methanol;tris(octanoic acid);titanium
CID 160869796
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
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687

Frequently Asked Questions

What is the IUPAC name of methanol;octadecanoic acid;zinc?
The IUPAC name of methanol;octadecanoic acid;zinc (CID 163303961) is methanol;octadecanoic acid;zinc.
What is the SMILES notation for methanol;octadecanoic acid;zinc?
The canonical SMILES for methanol;octadecanoic acid;zinc is CCCCCCCCCCCCCCCCCC(=O)O.CO.[Zn].
What is the InChIKey of methanol;octadecanoic acid;zinc?
The InChIKey is JEYQTIRVZLHTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.CH4O.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2;/h2-17H2,1H3,(H,19,20);2H,1H3;.
What are the key properties of methanol;octadecanoic acid;zinc?
methanol;octadecanoic acid;zinc has a molecular weight of 381.92 g/mol, XLogP of 5.94, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;octadecanoic acid;zinc is sourced from PubChem (CID 163303961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).