(Z)-octadec-6-enoic acid

C18H34O2 — CID 5281125

IUPAC(Z)-octadec-6-enoic acid
SMILESCCCCCCCCCCC/C=C\CCCCC(=O)O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChIKeyCNVZJPUDSLNTQU-SEYXRHQNSA-N
MW282.47 g/mol
LogP6.11
Rot. Bonds15

About (Z)-octadec-6-enoic acid

(Z)-octadec-6-enoic acid (PubChem CID 5281125) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (Z)-octadec-6-enoic acid.

Molecular Properties

Compound Name(Z)-octadec-6-enoic acid
PubChem CID5281125
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(Z)-octadec-6-enoic acid
SMILESCCCCCCCCCCC/C=C\CCCCC(=O)O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChIKeyCNVZJPUDSLNTQU-SEYXRHQNSA-N
XLogP6.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-6-enoic acid?
The IUPAC name of (Z)-octadec-6-enoic acid (CID 5281125) is (Z)-octadec-6-enoic acid.
What is the SMILES notation for (Z)-octadec-6-enoic acid?
The canonical SMILES for (Z)-octadec-6-enoic acid is CCCCCCCCCCC/C=C\CCCCC(=O)O.
What is the InChIKey of (Z)-octadec-6-enoic acid?
The InChIKey is CNVZJPUDSLNTQU-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-.
What are the key properties of (Z)-octadec-6-enoic acid?
(Z)-octadec-6-enoic acid has a molecular weight of 282.47 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 (Z)-octadec-6-enoic acid is sourced from PubChem (CID 5281125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).