ethyl octadeca-6,9,12,15-tetraenoate

C20H32O2 — CID 3088965

IUPACethyl octadeca-6,9,12,15-tetraenoate
SMILESCCC=CCC=CCC=CCC=CCCCCC(=O)OCC
InChIInChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-19H2,1-2H3
InChIKeyRIDOSNBWMUADGT-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.91
Rot. Bonds13

About ethyl octadeca-6,9,12,15-tetraenoate

ethyl octadeca-6,9,12,15-tetraenoate (PubChem CID 3088965) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is ethyl octadeca-6,9,12,15-tetraenoate.

Molecular Properties

Compound Nameethyl octadeca-6,9,12,15-tetraenoate
PubChem CID3088965
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Nameethyl octadeca-6,9,12,15-tetraenoate
SMILESCCC=CCC=CCC=CCC=CCCCCC(=O)OCC
InChIInChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-19H2,1-2H3
InChIKeyRIDOSNBWMUADGT-UHFFFAOYSA-N
XLogP5.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.91
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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Frequently Asked Questions

What is the IUPAC name of ethyl octadeca-6,9,12,15-tetraenoate?
The IUPAC name of ethyl octadeca-6,9,12,15-tetraenoate (CID 3088965) is ethyl octadeca-6,9,12,15-tetraenoate.
What is the SMILES notation for ethyl octadeca-6,9,12,15-tetraenoate?
The canonical SMILES for ethyl octadeca-6,9,12,15-tetraenoate is CCC=CCC=CCC=CCC=CCCCCC(=O)OCC.
What is the InChIKey of ethyl octadeca-6,9,12,15-tetraenoate?
The InChIKey is RIDOSNBWMUADGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-19H2,1-2H3.
What are the key properties of ethyl octadeca-6,9,12,15-tetraenoate?
ethyl octadeca-6,9,12,15-tetraenoate has a molecular weight of 304.47 g/mol, XLogP of 5.91, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl octadeca-6,9,12,15-tetraenoate is sourced from PubChem (CID 3088965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).