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

C12H20O2 — CID 5312382

IUPAC(2E,4E)-dodeca-2,4-dienoic acid
SMILESCCCCCCC/C=C/C=C/C(=O)O
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+
InChIKeyHQSBWLQFLLMPKC-BNFZFUHLSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds8

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

(2E,4E)-dodeca-2,4-dienoic acid (PubChem CID 5312382) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2E,4E)-dodeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-dodeca-2,4-dienoic acid
PubChem CID5312382
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2E,4E)-dodeca-2,4-dienoic acid
SMILESCCCCCCC/C=C/C=C/C(=O)O
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+
InChIKeyHQSBWLQFLLMPKC-BNFZFUHLSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-dodeca-2,4-dienoic acid?
The IUPAC name of (2E,4E)-dodeca-2,4-dienoic acid (CID 5312382) is (2E,4E)-dodeca-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-dodeca-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-dodeca-2,4-dienoic acid is CCCCCCC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-dodeca-2,4-dienoic acid?
The InChIKey is HQSBWLQFLLMPKC-BNFZFUHLSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+.
What are the key properties of (2E,4E)-dodeca-2,4-dienoic acid?
(2E,4E)-dodeca-2,4-dienoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-dodeca-2,4-dienoic acid is sourced from PubChem (CID 5312382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).