13-hydroxyoctadecanoic acid

C18H36O3 — CID 5282911

IUPAC13-hydroxyoctadecanoic acid
SMILESCCCCCC(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyMRWKWISFCDSNQN-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.30
Rot. Bonds16

About 13-hydroxyoctadecanoic acid

13-hydroxyoctadecanoic acid (PubChem CID 5282911) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 13-hydroxyoctadecanoic acid.

Molecular Properties

Compound Name13-hydroxyoctadecanoic acid
PubChem CID5282911
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name13-hydroxyoctadecanoic acid
SMILESCCCCCC(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyMRWKWISFCDSNQN-UHFFFAOYSA-N
XLogP5.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 13-hydroxyoctadecanoic acid?
The IUPAC name of 13-hydroxyoctadecanoic acid (CID 5282911) is 13-hydroxyoctadecanoic acid.
What is the SMILES notation for 13-hydroxyoctadecanoic acid?
The canonical SMILES for 13-hydroxyoctadecanoic acid is CCCCCC(O)CCCCCCCCCCCC(=O)O.
What is the InChIKey of 13-hydroxyoctadecanoic acid?
The InChIKey is MRWKWISFCDSNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21).
What are the key properties of 13-hydroxyoctadecanoic acid?
13-hydroxyoctadecanoic acid has a molecular weight of 300.48 g/mol, XLogP of 5.30, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxyoctadecanoic acid is sourced from PubChem (CID 5282911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).