methanediimine;(Z)-octadec-9-enoic acid

C19H36N2O2 — CID 174825633

IUPACmethanediimine;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.N=C=N
InChIInChI=1S/C18H34O2.CH2N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3H/b10-9-;
InChIKeyQJUCUVLEPVQNPS-KVVVOXFISA-N
MW324.51 g/mol
LogP6.43
Rot. Bonds15

About methanediimine;(Z)-octadec-9-enoic acid

methanediimine;(Z)-octadec-9-enoic acid (PubChem CID 174825633) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is methanediimine;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Namemethanediimine;(Z)-octadec-9-enoic acid
PubChem CID174825633
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Namemethanediimine;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.N=C=N
InChIInChI=1S/C18H34O2.CH2N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3H/b10-9-;
InChIKeyQJUCUVLEPVQNPS-KVVVOXFISA-N
XLogP6.43
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
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
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of methanediimine;(Z)-octadec-9-enoic acid?
The IUPAC name of methanediimine;(Z)-octadec-9-enoic acid (CID 174825633) is methanediimine;(Z)-octadec-9-enoic acid.
What is the SMILES notation for methanediimine;(Z)-octadec-9-enoic acid?
The canonical SMILES for methanediimine;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.N=C=N.
What is the InChIKey of methanediimine;(Z)-octadec-9-enoic acid?
The InChIKey is QJUCUVLEPVQNPS-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.CH2N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3H/b10-9-;.
What are the key properties of methanediimine;(Z)-octadec-9-enoic acid?
methanediimine;(Z)-octadec-9-enoic acid has a molecular weight of 324.51 g/mol, XLogP of 6.43, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanediimine;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 174825633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).