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

C18H37NO2 — CID 6435897

IUPACazane;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.N
InChIInChI=1S/C18H34O2.H3N/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);1H3/b10-9-;
InChIKeyWFXRJNDIBXZNJK-KVVVOXFISA-N
MW299.50 g/mol
LogP6.27
Rot. Bonds15

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

azane;(Z)-octadec-9-enoic acid (PubChem CID 6435897) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is azane;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Nameazane;(Z)-octadec-9-enoic acid
PubChem CID6435897
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Nameazane;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.N
InChIInChI=1S/C18H34O2.H3N/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);1H3/b10-9-;
InChIKeyWFXRJNDIBXZNJK-KVVVOXFISA-N
XLogP6.27
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;(Z)-octadec-9-enoic acid?
The IUPAC name of azane;(Z)-octadec-9-enoic acid (CID 6435897) is azane;(Z)-octadec-9-enoic acid.
What is the SMILES notation for azane;(Z)-octadec-9-enoic acid?
The canonical SMILES for azane;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.N.
What is the InChIKey of azane;(Z)-octadec-9-enoic acid?
The InChIKey is WFXRJNDIBXZNJK-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.H3N/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);1H3/b10-9-;.
What are the key properties of azane;(Z)-octadec-9-enoic acid?
azane;(Z)-octadec-9-enoic acid has a molecular weight of 299.50 g/mol, XLogP of 6.27, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 6435897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).