10-hydroxyoctadecanoic acid;octadecanoic acid

C36H72O5 — CID 162177313

IUPAC10-hydroxyoctadecanoic acid;octadecanoic acid
SMILESCCCCCCCCC(O)CCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O3.C18H36O2/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17,19H,2-16H2,1H3,(H,20,21);2-17H2,1H3,(H,19,20)
InChIKeyZOOAZHOCCKLREG-UHFFFAOYSA-N
MW584.97 g/mol
LogP11.64
Rot. Bonds32

About 10-hydroxyoctadecanoic acid;octadecanoic acid

10-hydroxyoctadecanoic acid;octadecanoic acid (PubChem CID 162177313) has the molecular formula C36H72O5 and a molecular weight of 584.97 g/mol. Its IUPAC name is 10-hydroxyoctadecanoic acid;octadecanoic acid.

Molecular Properties

Compound Name10-hydroxyoctadecanoic acid;octadecanoic acid
PubChem CID162177313
Molecular FormulaC36H72O5
Molecular Weight584.97 g/mol
Exact Mass584.54
IUPAC Name10-hydroxyoctadecanoic acid;octadecanoic acid
SMILESCCCCCCCCC(O)CCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O3.C18H36O2/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17,19H,2-16H2,1H3,(H,20,21);2-17H2,1H3,(H,19,20)
InChIKeyZOOAZHOCCKLREG-UHFFFAOYSA-N
XLogP11.64
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.97
LogP ≤ 511.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392

Frequently Asked Questions

What is the IUPAC name of 10-hydroxyoctadecanoic acid;octadecanoic acid?
The IUPAC name of 10-hydroxyoctadecanoic acid;octadecanoic acid (CID 162177313) is 10-hydroxyoctadecanoic acid;octadecanoic acid.
What is the SMILES notation for 10-hydroxyoctadecanoic acid;octadecanoic acid?
The canonical SMILES for 10-hydroxyoctadecanoic acid;octadecanoic acid is CCCCCCCCC(O)CCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 10-hydroxyoctadecanoic acid;octadecanoic acid?
The InChIKey is ZOOAZHOCCKLREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.C18H36O2/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17,19H,2-16H2,1H3,(H,20,21);2-17H2,1H3,(H,19,20).
What are the key properties of 10-hydroxyoctadecanoic acid;octadecanoic acid?
10-hydroxyoctadecanoic acid;octadecanoic acid has a molecular weight of 584.97 g/mol, XLogP of 11.64, 32 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxyoctadecanoic acid;octadecanoic acid is sourced from PubChem (CID 162177313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).