20-dodecanoyloxyicosanoic acid

C32H62O4 — CID 166098108

IUPAC20-dodecanoyloxyicosanoic acid
SMILESCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C32H62O4/c1-2-3-4-5-6-16-20-23-26-29-32(35)36-30-27-24-21-18-15-13-11-9-7-8-10-12-14-17-19-22-25-28-31(33)34/h2-30H2,1H3,(H,33,34)
InChIKeyUISSXYJBZUMDMS-UHFFFAOYSA-N
MW510.84 g/mol
LogP10.56
Rot. Bonds30

About 20-dodecanoyloxyicosanoic acid

20-dodecanoyloxyicosanoic acid (PubChem CID 166098108) has the molecular formula C32H62O4 and a molecular weight of 510.84 g/mol. Its IUPAC name is 20-dodecanoyloxyicosanoic acid.

Molecular Properties

Compound Name20-dodecanoyloxyicosanoic acid
PubChem CID166098108
Molecular FormulaC32H62O4
Molecular Weight510.84 g/mol
Exact Mass510.46
IUPAC Name20-dodecanoyloxyicosanoic acid
SMILESCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C32H62O4/c1-2-3-4-5-6-16-20-23-26-29-32(35)36-30-27-24-21-18-15-13-11-9-7-8-10-12-14-17-19-22-25-28-31(33)34/h2-30H2,1H3,(H,33,34)
InChIKeyUISSXYJBZUMDMS-UHFFFAOYSA-N
XLogP10.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.84
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

17-tetradecanoyloxyheptadecanoic acid
CID 170564356
12-hexadecoxy-12-oxododecanoic acid
CID 174602143
6-octadecanoyloxyhexyl octadecanoate;pentacontanedioic acid
CID 175973785
9-dodecanoyloxynonanoic acid
CID 57012340
octadecakis(decanoic acid);bis(tridecyl decanoate)
CID 174050313
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684
6-octacosoxy-6-oxohexanoic acid
CID 154142951
dodecyl octadecanoate;bis(octadecanoic acid)
CID 175591522
hexadecanoic acid;hexyl decanoate
CID 138523750
14-decoxy-14-oxotetradecanoic acid
CID 87963491

Frequently Asked Questions

What is the IUPAC name of 20-dodecanoyloxyicosanoic acid?
The IUPAC name of 20-dodecanoyloxyicosanoic acid (CID 166098108) is 20-dodecanoyloxyicosanoic acid.
What is the SMILES notation for 20-dodecanoyloxyicosanoic acid?
The canonical SMILES for 20-dodecanoyloxyicosanoic acid is CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 20-dodecanoyloxyicosanoic acid?
The InChIKey is UISSXYJBZUMDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O4/c1-2-3-4-5-6-16-20-23-26-29-32(35)36-30-27-24-21-18-15-13-11-9-7-8-10-12-14-17-19-22-25-28-31(33)34/h2-30H2,1H3,(H,33,34).
What are the key properties of 20-dodecanoyloxyicosanoic acid?
20-dodecanoyloxyicosanoic acid has a molecular weight of 510.84 g/mol, XLogP of 10.56, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-dodecanoyloxyicosanoic acid is sourced from PubChem (CID 166098108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).