9,11-dihydroxyoctadecanoic acid

C18H36O4 — CID 71369214

IUPAC9,11-dihydroxyoctadecanoic acid
SMILESCCCCCCCC(O)CC(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-4-6-9-12-16(19)15-17(20)13-10-7-5-8-11-14-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKeyLEKBCOMWWJZCQG-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.27
Rot. Bonds16

About 9,11-dihydroxyoctadecanoic acid

9,11-dihydroxyoctadecanoic acid (PubChem CID 71369214) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 9,11-dihydroxyoctadecanoic acid.

Molecular Properties

Compound Name9,11-dihydroxyoctadecanoic acid
PubChem CID71369214
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name9,11-dihydroxyoctadecanoic acid
SMILESCCCCCCCC(O)CC(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-4-6-9-12-16(19)15-17(20)13-10-7-5-8-11-14-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKeyLEKBCOMWWJZCQG-UHFFFAOYSA-N
XLogP4.27
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.27
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 9,11-dihydroxyoctadecanoic acid?
The IUPAC name of 9,11-dihydroxyoctadecanoic acid (CID 71369214) is 9,11-dihydroxyoctadecanoic acid.
What is the SMILES notation for 9,11-dihydroxyoctadecanoic acid?
The canonical SMILES for 9,11-dihydroxyoctadecanoic acid is CCCCCCCC(O)CC(O)CCCCCCCC(=O)O.
What is the InChIKey of 9,11-dihydroxyoctadecanoic acid?
The InChIKey is LEKBCOMWWJZCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-2-3-4-6-9-12-16(19)15-17(20)13-10-7-5-8-11-14-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22).
What are the key properties of 9,11-dihydroxyoctadecanoic acid?
9,11-dihydroxyoctadecanoic acid has a molecular weight of 316.48 g/mol, XLogP of 4.27, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dihydroxyoctadecanoic acid is sourced from PubChem (CID 71369214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).