2-oxononadecanedioic acid

C19H34O5 — CID 19882771

IUPAC2-oxononadecanedioic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C19H34O5/c20-17(19(23)24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,21,22)(H,23,24)
InChIKeyREDKGGVVSGHQRJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.97
Rot. Bonds18

About 2-oxononadecanedioic acid

2-oxononadecanedioic acid (PubChem CID 19882771) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-oxononadecanedioic acid.

Molecular Properties

Compound Name2-oxononadecanedioic acid
PubChem CID19882771
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name2-oxononadecanedioic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C19H34O5/c20-17(19(23)24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,21,22)(H,23,24)
InChIKeyREDKGGVVSGHQRJ-UHFFFAOYSA-N
XLogP4.97
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-oxotridecanedioic acid
CID 57104850
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
octanedioic acid;zinc
CID 87285694
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252

Frequently Asked Questions

What is the IUPAC name of 2-oxononadecanedioic acid?
The IUPAC name of 2-oxononadecanedioic acid (CID 19882771) is 2-oxononadecanedioic acid.
What is the SMILES notation for 2-oxononadecanedioic acid?
The canonical SMILES for 2-oxononadecanedioic acid is O=C(O)CCCCCCCCCCCCCCCCC(=O)C(=O)O.
What is the InChIKey of 2-oxononadecanedioic acid?
The InChIKey is REDKGGVVSGHQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5/c20-17(19(23)24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,21,22)(H,23,24).
What are the key properties of 2-oxononadecanedioic acid?
2-oxononadecanedioic acid has a molecular weight of 342.48 g/mol, XLogP of 4.97, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxononadecanedioic acid is sourced from PubChem (CID 19882771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).