2,3-dihydroxyoctadecanoic acid

C18H36O4 — CID 522305

IUPAC2,3-dihydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCC(O)C(O)C(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKeyUAZFXPRZXKJSFJ-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.27
Rot. Bonds16

About 2,3-dihydroxyoctadecanoic acid

2,3-dihydroxyoctadecanoic acid (PubChem CID 522305) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 2,3-dihydroxyoctadecanoic acid.

Molecular Properties

Compound Name2,3-dihydroxyoctadecanoic acid
PubChem CID522305
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name2,3-dihydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCC(O)C(O)C(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
InChIKeyUAZFXPRZXKJSFJ-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxyoctadecanoic acid?
The IUPAC name of 2,3-dihydroxyoctadecanoic acid (CID 522305) is 2,3-dihydroxyoctadecanoic acid.
What is the SMILES notation for 2,3-dihydroxyoctadecanoic acid?
The canonical SMILES for 2,3-dihydroxyoctadecanoic acid is CCCCCCCCCCCCCCCC(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxyoctadecanoic acid?
The InChIKey is UAZFXPRZXKJSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22).
What are the key properties of 2,3-dihydroxyoctadecanoic acid?
2,3-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 2,3-dihydroxyoctadecanoic acid is sourced from PubChem (CID 522305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).