2-oxotricosanoic acid

C23H44O3 — CID 5312932

IUPAC2-oxotricosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26/h2-21H2,1H3,(H,25,26)
InChIKeyMJYNGVHWLRDRHF-UHFFFAOYSA-N
MW368.60 g/mol
LogP7.46
Rot. Bonds21

About 2-oxotricosanoic acid

2-oxotricosanoic acid (PubChem CID 5312932) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is 2-oxotricosanoic acid.

Molecular Properties

Compound Name2-oxotricosanoic acid
PubChem CID5312932
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name2-oxotricosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26/h2-21H2,1H3,(H,25,26)
InChIKeyMJYNGVHWLRDRHF-UHFFFAOYSA-N
XLogP7.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxoheptadecanoic acid
CID 5312901
chromium;2-oxooctanoic acid
CID 174981458
alumane;2-oxononadecanoic acid
CID 174495213
copper;2-oxohexanoic acid
CID 88811226
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
12,13-dioxodocosanoic acid
CID 139775715
2,4-dioxodecanoic acid
CID 21475711
icosane;oxalic acid
CID 175691290
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
bis(chromium(3+));hexakis(tetradecanoate)
CID 161038412
3,4-dioxononadecanoic acid
CID 155267286

Frequently Asked Questions

What is the IUPAC name of 2-oxotricosanoic acid?
The IUPAC name of 2-oxotricosanoic acid (CID 5312932) is 2-oxotricosanoic acid.
What is the SMILES notation for 2-oxotricosanoic acid?
The canonical SMILES for 2-oxotricosanoic acid is CCCCCCCCCCCCCCCCCCCCCC(=O)C(=O)O.
What is the InChIKey of 2-oxotricosanoic acid?
The InChIKey is MJYNGVHWLRDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26/h2-21H2,1H3,(H,25,26).
What are the key properties of 2-oxotricosanoic acid?
2-oxotricosanoic acid has a molecular weight of 368.60 g/mol, XLogP of 7.46, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxotricosanoic acid is sourced from PubChem (CID 5312932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).