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

C11H18O2 — CID 5312374

IUPAC(2E,4E)-undeca-2,4-dienoic acid
SMILESCCCCCC/C=C/C=C/C(=O)O
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/b8-7+,10-9+
InChIKeyWXUGSDBMQDMRMU-XBLVEGMJSA-N
MW182.26 g/mol
LogP3.15
Rot. Bonds7

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

(2E,4E)-undeca-2,4-dienoic acid (PubChem CID 5312374) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2E,4E)-undeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-undeca-2,4-dienoic acid
PubChem CID5312374
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2E,4E)-undeca-2,4-dienoic acid
SMILESCCCCCC/C=C/C=C/C(=O)O
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/b8-7+,10-9+
InChIKeyWXUGSDBMQDMRMU-XBLVEGMJSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.15
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)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
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)-undeca-2,4-dienoic acid?
The IUPAC name of (2E,4E)-undeca-2,4-dienoic acid (CID 5312374) is (2E,4E)-undeca-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-undeca-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-undeca-2,4-dienoic acid is CCCCCC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-undeca-2,4-dienoic acid?
The InChIKey is WXUGSDBMQDMRMU-XBLVEGMJSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/b8-7+,10-9+.
What are the key properties of (2E,4E)-undeca-2,4-dienoic acid?
(2E,4E)-undeca-2,4-dienoic acid has a molecular weight of 182.26 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-undeca-2,4-dienoic acid is sourced from PubChem (CID 5312374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).