octadec-9-enoic acid;zinc

C18H34O2Zn — CID 76541114

IUPACoctadec-9-enoic acid;zinc
SMILESCCCCCCCCC=CCCCCCCCC(=O)O.[Zn]
InChIInChI=1S/C18H34O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);
InChIKeyZJGSVSYBKAZJGP-UHFFFAOYSA-N
MW347.86 g/mol
LogP6.11
Rot. Bonds15

About octadec-9-enoic acid;zinc

octadec-9-enoic acid;zinc (PubChem CID 76541114) has the molecular formula C18H34O2Zn and a molecular weight of 347.86 g/mol. Its IUPAC name is octadec-9-enoic acid;zinc.

Molecular Properties

Compound Nameoctadec-9-enoic acid;zinc
PubChem CID76541114
Molecular FormulaC18H34O2Zn
Molecular Weight347.86 g/mol
Exact Mass346.19
IUPAC Nameoctadec-9-enoic acid;zinc
SMILESCCCCCCCCC=CCCCCCCCC(=O)O.[Zn]
InChIInChI=1S/C18H34O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);
InChIKeyZJGSVSYBKAZJGP-UHFFFAOYSA-N
XLogP6.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.86
LogP ≤ 56.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(hexadec-8-enoic acid);zinc
CID 172555663
bis(octadec-12-enoic acid);zinc
CID 172555668
heptacos-7-enoic acid
CID 169277112
(Z)-(1,2,3,7,8-13C5)octadec-9-enoic acid
CID 117064632
triacont-6-enoic acid
CID 169276816
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514

Frequently Asked Questions

What is the IUPAC name of octadec-9-enoic acid;zinc?
The IUPAC name of octadec-9-enoic acid;zinc (CID 76541114) is octadec-9-enoic acid;zinc.
What is the SMILES notation for octadec-9-enoic acid;zinc?
The canonical SMILES for octadec-9-enoic acid;zinc is CCCCCCCCC=CCCCCCCCC(=O)O.[Zn].
What is the InChIKey of octadec-9-enoic acid;zinc?
The InChIKey is ZJGSVSYBKAZJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);.
What are the key properties of octadec-9-enoic acid;zinc?
octadec-9-enoic acid;zinc has a molecular weight of 347.86 g/mol, XLogP of 6.11, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-9-enoic acid;zinc is sourced from PubChem (CID 76541114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).