(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid

C20H32O2 — CID 100915198

IUPAC(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid
SMILESCCCCC/C=C/C/C=C/C=C/C/C=C/CCCCC(=O)O
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-12,14-15H,2-5,8,13,16-19H2,1H3,(H,21,22)/b7-6+,10-9+,12-11+,15-14+
InChIKeyKKQWOBSPLMEUDQ-DSWHXKLBSA-N
MW304.47 g/mol
LogP6.22
Rot. Bonds14

About (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid

(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid (PubChem CID 100915198) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid.

Molecular Properties

Compound Name(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid
PubChem CID100915198
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid
SMILESCCCCC/C=C/C/C=C/C=C/C/C=C/CCCCC(=O)O
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-12,14-15H,2-5,8,13,16-19H2,1H3,(H,21,22)/b7-6+,10-9+,12-11+,15-14+
InChIKeyKKQWOBSPLMEUDQ-DSWHXKLBSA-N
XLogP6.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.22
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
octadeca-6,9,11-trienoic acid
CID 85068576
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
tetracosa-6,9,12,15,18-pentaenoic acid
CID 72731988
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670
hexacosa-9,12-dienoic acid
CID 169276991
(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid
CID 165313676
octatriaconta-20,23,26,29,32-pentaenoic acid
CID 75955171
(6E,9E)-hexadeca-6,9-dienoic acid
CID 5312424
heptacosa-14,17-dienoic acid
CID 169276989
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521

Frequently Asked Questions

What is the IUPAC name of (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid?
The IUPAC name of (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid (CID 100915198) is (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid.
What is the SMILES notation for (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid?
The canonical SMILES for (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid is CCCCC/C=C/C/C=C/C=C/C/C=C/CCCCC(=O)O.
What is the InChIKey of (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid?
The InChIKey is KKQWOBSPLMEUDQ-DSWHXKLBSA-N. The full InChI is InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-12,14-15H,2-5,8,13,16-19H2,1H3,(H,21,22)/b7-6+,10-9+,12-11+,15-14+.
What are the key properties of (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid?
(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid has a molecular weight of 304.47 g/mol, XLogP of 6.22, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid is sourced from PubChem (CID 100915198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).