(2E,4E,6E)-octa-2,4,6-trienoic acid

C8H10O2 — CID 5368831

IUPAC(2E,4E,6E)-octa-2,4,6-trienoic acid
SMILESC/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2+,5-4+,7-6+
InChIKeyIAAPVNQZSBLWKH-ICDJNDDTSA-N
MW138.17 g/mol
LogP1.76
Rot. Bonds3

About (2E,4E,6E)-octa-2,4,6-trienoic acid

(2E,4E,6E)-octa-2,4,6-trienoic acid (PubChem CID 5368831) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E,4E,6E)-octa-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2E,4E,6E)-octa-2,4,6-trienoic acid
PubChem CID5368831
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(2E,4E,6E)-octa-2,4,6-trienoic acid
SMILESC/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2+,5-4+,7-6+
InChIKeyIAAPVNQZSBLWKH-ICDJNDDTSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.76
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,6E)-octa-2,4,6-trienoic acid?
The IUPAC name of (2E,4E,6E)-octa-2,4,6-trienoic acid (CID 5368831) is (2E,4E,6E)-octa-2,4,6-trienoic acid.
What is the SMILES notation for (2E,4E,6E)-octa-2,4,6-trienoic acid?
The canonical SMILES for (2E,4E,6E)-octa-2,4,6-trienoic acid is C/C=C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6E)-octa-2,4,6-trienoic acid?
The InChIKey is IAAPVNQZSBLWKH-ICDJNDDTSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2+,5-4+,7-6+.
What are the key properties of (2E,4E,6E)-octa-2,4,6-trienoic acid?
(2E,4E,6E)-octa-2,4,6-trienoic acid has a molecular weight of 138.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-octa-2,4,6-trienoic acid is sourced from PubChem (CID 5368831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).