9-decanoyloxy-9-oxononanoic acid

C19H34O5 — CID 170637743

IUPAC9-decanoyloxy-9-oxononanoic acid
SMILESCCCCCCCCCC(=O)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C19H34O5/c1-2-3-4-5-6-9-12-15-18(22)24-19(23)16-13-10-7-8-11-14-17(20)21/h2-16H2,1H3,(H,20,21)
InChIKeyKOPUCIFWOODXSK-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.01
Rot. Bonds16

About 9-decanoyloxy-9-oxononanoic acid

9-decanoyloxy-9-oxononanoic acid (PubChem CID 170637743) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 9-decanoyloxy-9-oxononanoic acid.

Molecular Properties

Compound Name9-decanoyloxy-9-oxononanoic acid
PubChem CID170637743
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name9-decanoyloxy-9-oxononanoic acid
SMILESCCCCCCCCCC(=O)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C19H34O5/c1-2-3-4-5-6-9-12-15-18(22)24-19(23)16-13-10-7-8-11-14-17(20)21/h2-16H2,1H3,(H,20,21)
InChIKeyKOPUCIFWOODXSK-UHFFFAOYSA-N
XLogP5.01
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-decanoyloxy-9-oxononanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-dodecanoyloxy-8-oxooctanoic acid
CID 175147193
4-dodecanoyloxy-4-oxobutanoic acid
CID 18175857
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
aluminum;calcium;magnesium;zinc;barium(2+);copper(1+);octadecanoic acid;tris(octadecanoyl octadecanoate)
CID 174429720
acetic acid;octadecanoyl octadecanoate
CID 174501345
dodecanoyl dodecanoate;sulfane
CID 174888621
ethane;octadecanoyl octadecanoate
CID 174636018
octanoic acid;propanoic acid;ruthenium
CID 173427049

Frequently Asked Questions

What is the IUPAC name of 9-decanoyloxy-9-oxononanoic acid?
The IUPAC name of 9-decanoyloxy-9-oxononanoic acid (CID 170637743) is 9-decanoyloxy-9-oxononanoic acid.
What is the SMILES notation for 9-decanoyloxy-9-oxononanoic acid?
The canonical SMILES for 9-decanoyloxy-9-oxononanoic acid is CCCCCCCCCC(=O)OC(=O)CCCCCCCC(=O)O.
What is the InChIKey of 9-decanoyloxy-9-oxononanoic acid?
The InChIKey is KOPUCIFWOODXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5/c1-2-3-4-5-6-9-12-15-18(22)24-19(23)16-13-10-7-8-11-14-17(20)21/h2-16H2,1H3,(H,20,21).
What are the key properties of 9-decanoyloxy-9-oxononanoic acid?
9-decanoyloxy-9-oxononanoic acid has a molecular weight of 342.48 g/mol, XLogP of 5.01, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-decanoyloxy-9-oxononanoic acid is sourced from PubChem (CID 170637743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).