6,19-dioxononadecanoic acid

C19H34O4 — CID 174486192

IUPAC6,19-dioxononadecanoic acid
SMILESO=CCCCCCCCCCCCCC(=O)CCCCC(=O)O
InChIInChI=1S/C19H34O4/c20-17-13-9-7-5-3-1-2-4-6-8-10-14-18(21)15-11-12-16-19(22)23/h17H,1-16H2,(H,22,23)
InChIKeyFIPOHBBEDCTYGV-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.08
Rot. Bonds18

About 6,19-dioxononadecanoic acid

6,19-dioxononadecanoic acid (PubChem CID 174486192) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 6,19-dioxononadecanoic acid.

Molecular Properties

Compound Name6,19-dioxononadecanoic acid
PubChem CID174486192
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name6,19-dioxononadecanoic acid
SMILESO=CCCCCCCCCCCCCC(=O)CCCCC(=O)O
InChIInChI=1S/C19H34O4/c20-17-13-9-7-5-3-1-2-4-6-8-10-14-18(21)15-11-12-16-19(22)23/h17H,1-16H2,(H,22,23)
InChIKeyFIPOHBBEDCTYGV-UHFFFAOYSA-N
XLogP5.08
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,19-dioxononadecanoic 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

9,12-dioxododecanoic acid
CID 5312888
(E)-14-oxotetradec-9-enoic acid
CID 118354621
6-(8-oxooctylsulfanyl)hexanoic acid
CID 155263954
9-oxotetradecanal
CID 13272684
19-oxodocosanal
CID 54396259
8-oxodecanal
CID 118225653
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
butanedioic acid;decanedioic acid;hexanedioic acid
CID 137367158
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129

Frequently Asked Questions

What is the IUPAC name of 6,19-dioxononadecanoic acid?
The IUPAC name of 6,19-dioxononadecanoic acid (CID 174486192) is 6,19-dioxononadecanoic acid.
What is the SMILES notation for 6,19-dioxononadecanoic acid?
The canonical SMILES for 6,19-dioxononadecanoic acid is O=CCCCCCCCCCCCCC(=O)CCCCC(=O)O.
What is the InChIKey of 6,19-dioxononadecanoic acid?
The InChIKey is FIPOHBBEDCTYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c20-17-13-9-7-5-3-1-2-4-6-8-10-14-18(21)15-11-12-16-19(22)23/h17H,1-16H2,(H,22,23).
What are the key properties of 6,19-dioxononadecanoic acid?
6,19-dioxononadecanoic acid has a molecular weight of 326.48 g/mol, XLogP of 5.08, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,19-dioxononadecanoic acid is sourced from PubChem (CID 174486192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).