(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid

C18H26O2 — CID 5312510

IUPAC(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)O
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+,13-12+,16-15+
InChIKeyLYJOUWBWJDKKEF-RCHUDCCISA-N
MW274.40 g/mol
LogP5.21
Rot. Bonds11

About (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid

(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid (PubChem CID 5312510) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid.

Molecular Properties

Compound Name(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
PubChem CID5312510
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)O
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+,13-12+,16-15+
InChIKeyLYJOUWBWJDKKEF-RCHUDCCISA-N
XLogP5.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid with MolForge

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Related Compounds

docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
icosa-3,11,17-trienoic acid
CID 162425893
(3E,9E,17E)-icosa-3,9,17-trienoic acid
CID 166679790
(4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid
CID 171730312
6-nona-3,6-dienoyloxyoct-3-enoic acid
CID 54247799
4-nitropentadeca-3,6,9,12-tetraenoic acid
CID 123360889
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065

Frequently Asked Questions

What is the IUPAC name of (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid?
The IUPAC name of (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid (CID 5312510) is (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid.
What is the SMILES notation for (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid?
The canonical SMILES for (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid is CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)O.
What is the InChIKey of (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid?
The InChIKey is LYJOUWBWJDKKEF-RCHUDCCISA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+,13-12+,16-15+.
What are the key properties of (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid?
(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid has a molecular weight of 274.40 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid is sourced from PubChem (CID 5312510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).