(5E,7E)-dodeca-5,7-dienoic acid

C12H20O2 — CID 5312388

IUPAC(5E,7E)-dodeca-5,7-dienoic acid
SMILESCCCC/C=C/C=C/CCCC(=O)O
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-8H,2-4,9-11H2,1H3,(H,13,14)/b6-5+,8-7+
InChIKeyFJEBEOYAPDCMES-BSWSSELBSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds8

About (5E,7E)-dodeca-5,7-dienoic acid

(5E,7E)-dodeca-5,7-dienoic acid (PubChem CID 5312388) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (5E,7E)-dodeca-5,7-dienoic acid.

Molecular Properties

Compound Name(5E,7E)-dodeca-5,7-dienoic acid
PubChem CID5312388
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(5E,7E)-dodeca-5,7-dienoic acid
SMILESCCCC/C=C/C=C/CCCC(=O)O
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-8H,2-4,9-11H2,1H3,(H,13,14)/b6-5+,8-7+
InChIKeyFJEBEOYAPDCMES-BSWSSELBSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-dodeca-5,7-dienoic acid?
The IUPAC name of (5E,7E)-dodeca-5,7-dienoic acid (CID 5312388) is (5E,7E)-dodeca-5,7-dienoic acid.
What is the SMILES notation for (5E,7E)-dodeca-5,7-dienoic acid?
The canonical SMILES for (5E,7E)-dodeca-5,7-dienoic acid is CCCC/C=C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,7E)-dodeca-5,7-dienoic acid?
The InChIKey is FJEBEOYAPDCMES-BSWSSELBSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-8H,2-4,9-11H2,1H3,(H,13,14)/b6-5+,8-7+.
What are the key properties of (5E,7E)-dodeca-5,7-dienoic acid?
(5E,7E)-dodeca-5,7-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 (5E,7E)-dodeca-5,7-dienoic acid is sourced from PubChem (CID 5312388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).