(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid

C20H28O2 — CID 138240302

IUPAC(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
SMILESCC/C=C\C=C\C=C\C=C/C=C/C=C/CCCCCC(=O)O
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-14H,2,15-19H2,1H3,(H,21,22)/b4-3-,6-5+,8-7+,10-9-,12-11+,14-13+
InChIKeyPWIBDJLBEKARAO-LJFGOLAKSA-N
MW300.44 g/mol
LogP5.77
Rot. Bonds12

About (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid

(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid (PubChem CID 138240302) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid.

Molecular Properties

Compound Name(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
PubChem CID138240302
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
SMILESCC/C=C\C=C\C=C\C=C/C=C/C=C/CCCCCC(=O)O
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-14H,2,15-19H2,1H3,(H,21,22)/b4-3-,6-5+,8-7+,10-9-,12-11+,14-13+
InChIKeyPWIBDJLBEKARAO-LJFGOLAKSA-N
XLogP5.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.77
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 (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid with MolForge

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Related Compounds

(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
CID 35025837
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 (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid?
The IUPAC name of (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid (CID 138240302) is (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid.
What is the SMILES notation for (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid?
The canonical SMILES for (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid is CC/C=C\C=C\C=C\C=C/C=C/C=C/CCCCCC(=O)O.
What is the InChIKey of (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid?
The InChIKey is PWIBDJLBEKARAO-LJFGOLAKSA-N. The full InChI is InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-14H,2,15-19H2,1H3,(H,21,22)/b4-3-,6-5+,8-7+,10-9-,12-11+,14-13+.
What are the key properties of (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid?
(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid has a molecular weight of 300.44 g/mol, XLogP of 5.77, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid is sourced from PubChem (CID 138240302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).