(2E,4E)-icosa-2,4-dienoic acid

C20H36O2 — CID 11483665

IUPAC(2E,4E)-icosa-2,4-dienoic acid
SMILESCCCCCCCCCCCCCCC/C=C/C=C/C(=O)O
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H,21,22)/b17-16+,19-18+
InChIKeyLNAVIIOBBICBIS-NBRVCOCJSA-N
MW308.51 g/mol
LogP6.66
Rot. Bonds16

About (2E,4E)-icosa-2,4-dienoic acid

(2E,4E)-icosa-2,4-dienoic acid (PubChem CID 11483665) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (2E,4E)-icosa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-icosa-2,4-dienoic acid
PubChem CID11483665
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(2E,4E)-icosa-2,4-dienoic acid
SMILESCCCCCCCCCCCCCCC/C=C/C=C/C(=O)O
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H,21,22)/b17-16+,19-18+
InChIKeyLNAVIIOBBICBIS-NBRVCOCJSA-N
XLogP6.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E,6E,8E,10E,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 122652013
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
azane;dodeca-2,4-dienoic acid
CID 174563549
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
CID 21158972
nonacosa-2,4,6-trienoic acid
CID 54271388

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-icosa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-icosa-2,4-dienoic acid (CID 11483665) is (2E,4E)-icosa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-icosa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-icosa-2,4-dienoic acid is CCCCCCCCCCCCCCC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-icosa-2,4-dienoic acid?
The InChIKey is LNAVIIOBBICBIS-NBRVCOCJSA-N. The full InChI is InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H,21,22)/b17-16+,19-18+.
What are the key properties of (2E,4E)-icosa-2,4-dienoic acid?
(2E,4E)-icosa-2,4-dienoic acid has a molecular weight of 308.51 g/mol, XLogP of 6.66, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-icosa-2,4-dienoic acid is sourced from PubChem (CID 11483665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).