octadeca-4,8,12,15-tetraenoic acid

C18H28O2 — CID 54307922

IUPACoctadeca-4,8,12,15-tetraenoic acid
SMILESCCC=CCC=CCCC=CCCC=CCCC(=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)
InChIKeySIVLURJESSFFDP-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.44
Rot. Bonds12

About octadeca-4,8,12,15-tetraenoic acid

octadeca-4,8,12,15-tetraenoic acid (PubChem CID 54307922) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is octadeca-4,8,12,15-tetraenoic acid.

Molecular Properties

Compound Nameoctadeca-4,8,12,15-tetraenoic acid
PubChem CID54307922
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Nameoctadeca-4,8,12,15-tetraenoic acid
SMILESCCC=CCC=CCCC=CCCC=CCCC(=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)
InChIKeySIVLURJESSFFDP-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of octadeca-4,8,12,15-tetraenoic acid?
The IUPAC name of octadeca-4,8,12,15-tetraenoic acid (CID 54307922) is octadeca-4,8,12,15-tetraenoic acid.
What is the SMILES notation for octadeca-4,8,12,15-tetraenoic acid?
The canonical SMILES for octadeca-4,8,12,15-tetraenoic acid is CCC=CCC=CCCC=CCCC=CCCC(=O)O.
What is the InChIKey of octadeca-4,8,12,15-tetraenoic acid?
The InChIKey is SIVLURJESSFFDP-UHFFFAOYSA-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).
What are the key properties of octadeca-4,8,12,15-tetraenoic acid?
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 octadeca-4,8,12,15-tetraenoic acid is sourced from PubChem (CID 54307922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).