(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid

C18H28O2 — CID 131751278

IUPAC(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
SMILESCC/C=C\C/C=C\CC/C=C/CC/C=C/CCC(=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/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10+,15-14+
InChIKeySIVLURJESSFFDP-FLVFHSTKSA-N
MW276.42 g/mol
LogP5.44
Rot. Bonds12

About (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid

(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid (PubChem CID 131751278) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid.

Molecular Properties

Compound Name(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
PubChem CID131751278
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
SMILESCC/C=C\C/C=C\CC/C=C/CC/C=C/CCC(=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/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10+,15-14+
InChIKeySIVLURJESSFFDP-FLVFHSTKSA-N
XLogP5.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.44
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'}

Analyze (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid with MolForge

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Related Compounds

(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(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,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
docosa-4,8,10,13,16,19-hexaenoic acid
CID 91377842
(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid
CID 89050149

Frequently Asked Questions

What is the IUPAC name of (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid?
The IUPAC name of (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid (CID 131751278) is (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid.
What is the SMILES notation for (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid?
The canonical SMILES for (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid is CC/C=C\C/C=C\CC/C=C/CC/C=C/CCC(=O)O.
What is the InChIKey of (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid?
The InChIKey is SIVLURJESSFFDP-FLVFHSTKSA-N. 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/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10+,15-14+.
What are the key properties of (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid?
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid has a molecular weight of 276.42 g/mol, XLogP of 5.44, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid is sourced from PubChem (CID 131751278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).