(8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid

C20H30O2 — CID 140565725

IUPAC(8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid
SMILESCCCC/C=C/CCC/C=C/C=C/C=C=CCCCC(=O)O
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,10-14,16H,2-4,7-9,17-19H2,1H3,(H,21,22)/b6-5+,11-10+,13-12+
InChIKeyNAWDMYFCVCLSSE-ONVRLIGQSA-N
MW302.46 g/mol
LogP5.98
Rot. Bonds13

About (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid

(8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid (PubChem CID 140565725) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid.

Molecular Properties

Compound Name(8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid
PubChem CID140565725
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid
SMILESCCCC/C=C/CCC/C=C/C=C/C=C=CCCCC(=O)O
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,10-14,16H,2-4,7-9,17-19H2,1H3,(H,21,22)/b6-5+,11-10+,13-12+
InChIKeyNAWDMYFCVCLSSE-ONVRLIGQSA-N
XLogP5.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.98
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

(4E,6E,8E,10E,12E,17E)-docosa-4,6,8,10,12,17-hexaenoic acid
CID 153399699
pentadeca-5,10-dienoic acid
CID 535083
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
pentadeca-5,7-dienoic acid
CID 123590047
icosa-5,10,14-trienoic acid
CID 162425903
octadeca-6,9,12-trienoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;bis(octadeca-9,11,13-trienoic acid)
CID 161443893
icosa-8,10,14-trienoic acid
CID 162425913
docosa-4,8,10,12,16-pentaenoic acid
CID 91288840
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801

Frequently Asked Questions

What is the IUPAC name of (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid?
The IUPAC name of (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid (CID 140565725) is (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid.
What is the SMILES notation for (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid?
The canonical SMILES for (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid is CCCC/C=C/CCC/C=C/C=C/C=C=CCCCC(=O)O.
What is the InChIKey of (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid?
The InChIKey is NAWDMYFCVCLSSE-ONVRLIGQSA-N. The full InChI is InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,10-14,16H,2-4,7-9,17-19H2,1H3,(H,21,22)/b6-5+,11-10+,13-12+.
What are the key properties of (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid?
(8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid has a molecular weight of 302.46 g/mol, XLogP of 5.98, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E,15E)-icosa-5,6,8,10,15-pentaenoic acid is sourced from PubChem (CID 140565725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).