8-methylnonanoic acid;zinc

C10H20O2Zn — CID 175431403

IUPAC8-methylnonanoic acid;zinc
SMILESCC(C)CCCCCCC(=O)O.[Zn]
InChIInChI=1S/C10H20O2.Zn/c1-9(2)7-5-3-4-6-8-10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);
InChIKeyIECXINXMYCFMMI-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.07
Rot. Bonds7

About 8-methylnonanoic acid;zinc

8-methylnonanoic acid;zinc (PubChem CID 175431403) has the molecular formula C10H20O2Zn and a molecular weight of 237.66 g/mol. Its IUPAC name is 8-methylnonanoic acid;zinc.

Molecular Properties

Compound Name8-methylnonanoic acid;zinc
PubChem CID175431403
Molecular FormulaC10H20O2Zn
Molecular Weight237.66 g/mol
Exact Mass236.08
IUPAC Name8-methylnonanoic acid;zinc
SMILESCC(C)CCCCCCC(=O)O.[Zn]
InChIInChI=1S/C10H20O2.Zn/c1-9(2)7-5-3-4-6-8-10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);
InChIKeyIECXINXMYCFMMI-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.07
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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6-methylheptanoic acid;vanadium
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gadolinium;tris(6-methylheptanoic acid)
CID 176895771
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CID 123475021
methoxymethane;16-methylheptadecanoic acid
CID 175921970
sodium;hydride;6-methylheptanoic acid
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docosanoic acid;2-methylpentadecane
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16-methylheptadecanoic acid;tetradecane
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Frequently Asked Questions

What is the IUPAC name of 8-methylnonanoic acid;zinc?
The IUPAC name of 8-methylnonanoic acid;zinc (CID 175431403) is 8-methylnonanoic acid;zinc.
What is the SMILES notation for 8-methylnonanoic acid;zinc?
The canonical SMILES for 8-methylnonanoic acid;zinc is CC(C)CCCCCCC(=O)O.[Zn].
What is the InChIKey of 8-methylnonanoic acid;zinc?
The InChIKey is IECXINXMYCFMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Zn/c1-9(2)7-5-3-4-6-8-10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);.
What are the key properties of 8-methylnonanoic acid;zinc?
8-methylnonanoic acid;zinc has a molecular weight of 237.66 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonanoic acid;zinc is sourced from PubChem (CID 175431403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).