hexa-2,3,4,5-tetraenoic acid

C6H4O2 — CID 137332363

IUPAChexa-2,3,4,5-tetraenoic acid
SMILESC=C=C=C=CC(=O)O
InChIInChI=1S/C6H4O2/c1-2-3-4-5-6(7)8/h5H,1H2,(H,7,8)
InChIKeyFOLOKYVQNJLFFX-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.72
Rot. Bonds1

About hexa-2,3,4,5-tetraenoic acid

hexa-2,3,4,5-tetraenoic acid (PubChem CID 137332363) has the molecular formula C6H4O2 and a molecular weight of 108.10 g/mol. Its IUPAC name is hexa-2,3,4,5-tetraenoic acid.

Molecular Properties

Compound Namehexa-2,3,4,5-tetraenoic acid
PubChem CID137332363
Molecular FormulaC6H4O2
Molecular Weight108.10 g/mol
Exact Mass108.02
IUPAC Namehexa-2,3,4,5-tetraenoic acid
SMILESC=C=C=C=CC(=O)O
InChIInChI=1S/C6H4O2/c1-2-3-4-5-6(7)8/h5H,1H2,(H,7,8)
InChIKeyFOLOKYVQNJLFFX-UHFFFAOYSA-N
XLogP0.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

buta-2,3-dienoic acid;ethene;prop-2-enoic acid
CID 88755428
propa-1,2-diene;prop-2-enoic acid
CID 87528700
potassium;buta-2,3-dienoic acid;hydride
CID 176540162
penta-2,3,4-trienoyl fluoride
CID 139658986
carbon dioxide;prop-2-enoic acid
CID 91485631
9-chlorodeca-1,2,3,4,5,6,7,9-octaene
CID 157483205
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804
azane;prop-2-enoic acid
CID 173158019

Frequently Asked Questions

What is the IUPAC name of hexa-2,3,4,5-tetraenoic acid?
The IUPAC name of hexa-2,3,4,5-tetraenoic acid (CID 137332363) is hexa-2,3,4,5-tetraenoic acid.
What is the SMILES notation for hexa-2,3,4,5-tetraenoic acid?
The canonical SMILES for hexa-2,3,4,5-tetraenoic acid is C=C=C=C=CC(=O)O.
What is the InChIKey of hexa-2,3,4,5-tetraenoic acid?
The InChIKey is FOLOKYVQNJLFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2/c1-2-3-4-5-6(7)8/h5H,1H2,(H,7,8).
What are the key properties of hexa-2,3,4,5-tetraenoic acid?
hexa-2,3,4,5-tetraenoic acid has a molecular weight of 108.10 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,3,4,5-tetraenoic acid is sourced from PubChem (CID 137332363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).