(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

C18H27O2- — CID 25245840

IUPAC(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-]
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-,13-12-
InChIKeyJIWBIWFOSCKQMA-LTKCOYKYSA-M
MW275.41 g/mol
LogP4.10
Rot. Bonds12

About (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (PubChem CID 25245840) has the molecular formula C18H27O2- and a molecular weight of 275.41 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate.

Molecular Properties

Compound Name(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
PubChem CID25245840
Molecular FormulaC18H27O2-
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-]
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-,13-12-
InChIKeyJIWBIWFOSCKQMA-LTKCOYKYSA-M
XLogP4.10
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
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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Related Compounds

Linolenic Acid
CID 5280934
Arachidonic Acid
CID 444899
Palmitoleic Acid
CID 445638
Icosapent
CID 446284
Gamma-Linolenic acid
CID 5280933
Docosapentaenoic Acid
CID 5497182
Methyl Oleate
CID 5364509
Sodium Oleate
CID 23665730
Methyl linoleate
CID 5284421
Potassium Oleate
CID 23665571
cis-7-Hexadecenoic acid
CID 5318393
Stearidonic Acid
CID 5312508

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate?
The IUPAC name of (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (CID 25245840) is (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate.
What is the SMILES notation for (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate?
The canonical SMILES for (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-].
What is the InChIKey of (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate?
The InChIKey is JIWBIWFOSCKQMA-LTKCOYKYSA-M. The full InChI is InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-,13-12-.
What are the key properties of (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate?
(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate has a molecular weight of 275.41 g/mol, XLogP of 4.10, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate is sourced from PubChem (CID 25245840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).