2-hydroxy-3-oxooctadecanoic acid

C18H34O4 — CID 21118454

IUPAC2-hydroxy-3-oxooctadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)C(O)C(=O)O
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h17,20H,2-15H2,1H3,(H,21,22)
InChIKeyALLXCKCJCMUAEH-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.48
Rot. Bonds16

About 2-hydroxy-3-oxooctadecanoic acid

2-hydroxy-3-oxooctadecanoic acid (PubChem CID 21118454) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-hydroxy-3-oxooctadecanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-oxooctadecanoic acid
PubChem CID21118454
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2-hydroxy-3-oxooctadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)C(O)C(=O)O
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h17,20H,2-15H2,1H3,(H,21,22)
InChIKeyALLXCKCJCMUAEH-UHFFFAOYSA-N
XLogP4.48
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-oxoicosanoic acid
CID 57213641
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxododecanoic acid
CID 175982190
2-hydroxyicosan-3-one
CID 57023276
(10R,11S)-10,11-dihydroxy-9,12-dioxooctadecanoic acid
CID 92856024
3-oxo-2-tetradecylheptadecanoic acid
CID 54574565
(2S)-2-octyl-3-oxododecanoic acid
CID 154046678
2-octanoylhexadecanoic acid
CID 159011592
2-hydroxy-3-oxotetradecanoate;trimethylazanium
CID 141062902
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
3-hydroxy-2,2-dimethylundecan-4-one
CID 103456168

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxooctadecanoic acid?
The IUPAC name of 2-hydroxy-3-oxooctadecanoic acid (CID 21118454) is 2-hydroxy-3-oxooctadecanoic acid.
What is the SMILES notation for 2-hydroxy-3-oxooctadecanoic acid?
The canonical SMILES for 2-hydroxy-3-oxooctadecanoic acid is CCCCCCCCCCCCCCCC(=O)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-oxooctadecanoic acid?
The InChIKey is ALLXCKCJCMUAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h17,20H,2-15H2,1H3,(H,21,22).
What are the key properties of 2-hydroxy-3-oxooctadecanoic acid?
2-hydroxy-3-oxooctadecanoic acid has a molecular weight of 314.47 g/mol, XLogP of 4.48, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxooctadecanoic acid is sourced from PubChem (CID 21118454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).