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

C6H8O2 — CID 643460

IUPAC(2E,4E)-hexa-2,4-dienoic acid
SMILESC/C=C/C=C/C(=O)O
InChIInChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
InChIKeyWSWCOQWTEOXDQX-MQQKCMAXSA-N
MW112.13 g/mol
LogP1.20
Rot. Bonds2

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

(2E,4E)-hexa-2,4-dienoic acid (PubChem CID 643460) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienoic acid
PubChem CID643460
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(2E,4E)-hexa-2,4-dienoic acid
SMILESC/C=C/C=C/C(=O)O
InChIInChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
InChIKeyWSWCOQWTEOXDQX-MQQKCMAXSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)-hexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-hexa-2,4-dienoic acid (CID 643460) is (2E,4E)-hexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-hexa-2,4-dienoic acid is C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-hexa-2,4-dienoic acid?
The InChIKey is WSWCOQWTEOXDQX-MQQKCMAXSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+.
What are the key properties of (2E,4E)-hexa-2,4-dienoic acid?
(2E,4E)-hexa-2,4-dienoic acid has a molecular weight of 112.13 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienoic acid is sourced from PubChem (CID 643460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).