4-oxooctadeca-9,11,13,15-tetraenoic acid

C18H26O3 — CID 78383982

IUPAC4-oxooctadeca-9,11,13,15-tetraenoic acid
SMILESCCC=CC=CC=CC=CCCCCC(=O)CCC(=O)O
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)
InChIKeyZYOSGENSARGRME-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.62
Rot. Bonds12

About 4-oxooctadeca-9,11,13,15-tetraenoic acid

4-oxooctadeca-9,11,13,15-tetraenoic acid (PubChem CID 78383982) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-oxooctadeca-9,11,13,15-tetraenoic acid.

Molecular Properties

Compound Name4-oxooctadeca-9,11,13,15-tetraenoic acid
PubChem CID78383982
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name4-oxooctadeca-9,11,13,15-tetraenoic acid
SMILESCCC=CC=CC=CC=CCCCCC(=O)CCC(=O)O
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)
InChIKeyZYOSGENSARGRME-UHFFFAOYSA-N
XLogP4.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
CID 138240302
(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
CID 35025837
dodeca-7,9-dienoic acid
CID 78383934
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid
CID 131769829
(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
CID 5460991
4-oxooctadeca-9,11,13-trienamide
CID 54365478
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
tritriaconta-12,14-dien-5-one
CID 162922965
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801

Frequently Asked Questions

What is the IUPAC name of 4-oxooctadeca-9,11,13,15-tetraenoic acid?
The IUPAC name of 4-oxooctadeca-9,11,13,15-tetraenoic acid (CID 78383982) is 4-oxooctadeca-9,11,13,15-tetraenoic acid.
What is the SMILES notation for 4-oxooctadeca-9,11,13,15-tetraenoic acid?
The canonical SMILES for 4-oxooctadeca-9,11,13,15-tetraenoic acid is CCC=CC=CC=CC=CCCCCC(=O)CCC(=O)O.
What is the InChIKey of 4-oxooctadeca-9,11,13,15-tetraenoic acid?
The InChIKey is ZYOSGENSARGRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21).
What are the key properties of 4-oxooctadeca-9,11,13,15-tetraenoic acid?
4-oxooctadeca-9,11,13,15-tetraenoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxooctadeca-9,11,13,15-tetraenoic acid is sourced from PubChem (CID 78383982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).