3-hydroxy-5-oxodeca-6,8-dienoic acid

C10H14O4 — CID 152518855

IUPAC3-hydroxy-5-oxodeca-6,8-dienoic acid
SMILESCC=CC=CC(=O)CC(O)CC(=O)O
InChIInChI=1S/C10H14O4/c1-2-3-4-5-8(11)6-9(12)7-10(13)14/h2-5,9,12H,6-7H2,1H3,(H,13,14)
InChIKeyYHCHBNSIBHZNJP-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.91
Rot. Bonds6

About 3-hydroxy-5-oxodeca-6,8-dienoic acid

3-hydroxy-5-oxodeca-6,8-dienoic acid (PubChem CID 152518855) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-hydroxy-5-oxodeca-6,8-dienoic acid.

Molecular Properties

Compound Name3-hydroxy-5-oxodeca-6,8-dienoic acid
PubChem CID152518855
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name3-hydroxy-5-oxodeca-6,8-dienoic acid
SMILESCC=CC=CC(=O)CC(O)CC(=O)O
InChIInChI=1S/C10H14O4/c1-2-3-4-5-8(11)6-9(12)7-10(13)14/h2-5,9,12H,6-7H2,1H3,(H,13,14)
InChIKeyYHCHBNSIBHZNJP-UHFFFAOYSA-N
XLogP0.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid
CID 175318409
(2S)-2-(hexa-2,4-dienoylamino)butanedioic acid
CID 114287498
hexa-2,4-dienoic acid;propan-2-ol
CID 174930282
3-[ethyl(hexa-2,4-dienoyl)amino]butanoic acid
CID 76950051
(2E,4E)-hexa-2,4-dienoic acid;propane-1,2-diol
CID 158193254
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
(2-hydroxy-4-oxohept-5-enyl)-trimethylazanium chloride
CID 173117652
2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid
CID 88536237
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-oxodeca-6,8-dienoic acid?
The IUPAC name of 3-hydroxy-5-oxodeca-6,8-dienoic acid (CID 152518855) is 3-hydroxy-5-oxodeca-6,8-dienoic acid.
What is the SMILES notation for 3-hydroxy-5-oxodeca-6,8-dienoic acid?
The canonical SMILES for 3-hydroxy-5-oxodeca-6,8-dienoic acid is CC=CC=CC(=O)CC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-5-oxodeca-6,8-dienoic acid?
The InChIKey is YHCHBNSIBHZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-2-3-4-5-8(11)6-9(12)7-10(13)14/h2-5,9,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-hydroxy-5-oxodeca-6,8-dienoic acid?
3-hydroxy-5-oxodeca-6,8-dienoic acid has a molecular weight of 198.22 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxodeca-6,8-dienoic acid is sourced from PubChem (CID 152518855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).