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

C11H16O4 — CID 87404972

IUPAC(2E,4E)-undeca-2,4-dienedioic acid
SMILESO=C(O)/C=C/C=C/CCCCCC(=O)O
InChIInChI=1S/C11H16O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h2,4,6,8H,1,3,5,7,9H2,(H,12,13)(H,14,15)/b4-2+,8-6+
InChIKeyNNUQKJXRLKKSCJ-REBBJWOHSA-N
MW212.25 g/mol
LogP2.22
Rot. Bonds8

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

(2E,4E)-undeca-2,4-dienedioic acid (PubChem CID 87404972) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2E,4E)-undeca-2,4-dienedioic acid.

Molecular Properties

Compound Name(2E,4E)-undeca-2,4-dienedioic acid
PubChem CID87404972
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name(2E,4E)-undeca-2,4-dienedioic acid
SMILESO=C(O)/C=C/C=C/CCCCCC(=O)O
InChIInChI=1S/C11H16O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h2,4,6,8H,1,3,5,7,9H2,(H,12,13)(H,14,15)/b4-2+,8-6+
InChIKeyNNUQKJXRLKKSCJ-REBBJWOHSA-N
XLogP2.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze (2E,4E)-undeca-2,4-dienedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-nonadeca-2,4-dienedioic acid
CID 87405159
(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid
CID 87404974
nonadeca-2,4,6-trienedioic acid
CID 123861344
(2E,4E,6E)-heptadeca-2,4,6-trienedioic acid
CID 87404781
tetradeca-2,4,6-trienedioic acid
CID 123267309
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(Z)-undec-2-enedioic acid
CID 59435158
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
(33Z)-octatetraconta-2,33-dienedioic acid
CID 87703838
(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(Z)-tetracos-15-enoic acid
CID 118104873
(2E,4Z)-13-oxotrideca-2,4-dienoic acid
CID 177426996
docosa-2,4,6,8,10-pentaenoic acid;(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
CID 87118761

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-undeca-2,4-dienedioic acid?
The IUPAC name of (2E,4E)-undeca-2,4-dienedioic acid (CID 87404972) is (2E,4E)-undeca-2,4-dienedioic acid.
What is the SMILES notation for (2E,4E)-undeca-2,4-dienedioic acid?
The canonical SMILES for (2E,4E)-undeca-2,4-dienedioic acid is O=C(O)/C=C/C=C/CCCCCC(=O)O.
What is the InChIKey of (2E,4E)-undeca-2,4-dienedioic acid?
The InChIKey is NNUQKJXRLKKSCJ-REBBJWOHSA-N. The full InChI is InChI=1S/C11H16O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h2,4,6,8H,1,3,5,7,9H2,(H,12,13)(H,14,15)/b4-2+,8-6+.
What are the key properties of (2E,4E)-undeca-2,4-dienedioic acid?
(2E,4E)-undeca-2,4-dienedioic acid has a molecular weight of 212.25 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-undeca-2,4-dienedioic acid is sourced from PubChem (CID 87404972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).