8-oxoocta-4,6-dienoic acid

C8H10O3 — CID 71446452

IUPAC8-oxoocta-4,6-dienoic acid
SMILESO=CC=CC=CCCC(=O)O
InChIInChI=1S/C8H10O3/c9-7-5-3-1-2-4-6-8(10)11/h1-3,5,7H,4,6H2,(H,10,11)
InChIKeyFMLNYEWTMZPLSG-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.16
Rot. Bonds5

About 8-oxoocta-4,6-dienoic acid

8-oxoocta-4,6-dienoic acid (PubChem CID 71446452) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 8-oxoocta-4,6-dienoic acid.

Molecular Properties

Compound Name8-oxoocta-4,6-dienoic acid
PubChem CID71446452
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name8-oxoocta-4,6-dienoic acid
SMILESO=CC=CC=CCCC(=O)O
InChIInChI=1S/C8H10O3/c9-7-5-3-1-2-4-6-8(10)11/h1-3,5,7H,4,6H2,(H,10,11)
InChIKeyFMLNYEWTMZPLSG-UHFFFAOYSA-N
XLogP1.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-oxonona-5,7-dienoic acid
CID 57345996
N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid
CID 153402833
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
(Z)-11-oxoundec-9-enoic acid
CID 58659712
(4E,6E,8E,10E,12E,17E)-docosa-4,6,8,10,12,17-hexaenoic acid
CID 153399699
docosa-4,6,8,10,13,16,19-heptaenoic acid
CID 72820613
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
docosa-4,8,10,12,16-pentaenoic acid
CID 91288840
docosa-4,7,10,14,16,18-hexaenoic acid
CID 123967025
(4E,6E)-8-methylnona-4,6-dienoic acid
CID 169444513
6-oxohept-2-enal
CID 57259374
docosa-4,8,10,13,16,19-hexaenoic acid
CID 91377842

Frequently Asked Questions

What is the IUPAC name of 8-oxoocta-4,6-dienoic acid?
The IUPAC name of 8-oxoocta-4,6-dienoic acid (CID 71446452) is 8-oxoocta-4,6-dienoic acid.
What is the SMILES notation for 8-oxoocta-4,6-dienoic acid?
The canonical SMILES for 8-oxoocta-4,6-dienoic acid is O=CC=CC=CCCC(=O)O.
What is the InChIKey of 8-oxoocta-4,6-dienoic acid?
The InChIKey is FMLNYEWTMZPLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6-8(10)11/h1-3,5,7H,4,6H2,(H,10,11).
What are the key properties of 8-oxoocta-4,6-dienoic acid?
8-oxoocta-4,6-dienoic acid has a molecular weight of 154.16 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxoocta-4,6-dienoic acid is sourced from PubChem (CID 71446452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).