(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid

C18H28O2 — CID 35025837

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

About (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid

(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid (PubChem CID 35025837) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid.

Molecular Properties

Compound Name(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
PubChem CID35025837
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
SMILESCC/C=C\C=C/C=C\C=C\CCCCCCCC(=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/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5-,8-7-,10-9+
InChIKeyIJTNSXPMYKJZPR-BAKWADNNSA-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': 'polyene', 'substructure': 'N/A'}

Analyze (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid with MolForge

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Related Compounds

(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
CID 138240302
dodeca-7,9-dienoic acid
CID 78383934
(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
4-oxooctadeca-9,11,13,15-tetraenoic acid
CID 78383982
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
heptacosa-12,14-dienoic acid
CID 172824582
(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
CID 5460991

Frequently Asked Questions

What is the IUPAC name of (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid?
The IUPAC name of (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid (CID 35025837) is (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid.
What is the SMILES notation for (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid?
The canonical SMILES for (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid is CC/C=C\C=C/C=C\C=C\CCCCCCCC(=O)O.
What is the InChIKey of (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid?
The InChIKey is IJTNSXPMYKJZPR-BAKWADNNSA-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/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5-,8-7-,10-9+.
What are the key properties of (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid?
(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-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 (9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid is sourced from PubChem (CID 35025837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).