2-hydroxyoctadecanoic acid

C36H72O6 — CID 87724091

IUPAC2-hydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)O.CCCCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/2C18H36O3/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2*17,19H,2-16H2,1H3,(H,20,21)
InChIKeyZRIAELJUCLIMFF-UHFFFAOYSA-N
MW600.97 g/mol
LogP10.61
Rot. Bonds32

About 2-hydroxyoctadecanoic acid

2-hydroxyoctadecanoic acid (PubChem CID 87724091) has the molecular formula C36H72O6 and a molecular weight of 600.97 g/mol. Its IUPAC name is 2-hydroxyoctadecanoic acid.

Molecular Properties

Compound Name2-hydroxyoctadecanoic acid
PubChem CID87724091
Molecular FormulaC36H72O6
Molecular Weight600.97 g/mol
Exact Mass600.53
IUPAC Name2-hydroxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)O.CCCCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/2C18H36O3/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2*17,19H,2-16H2,1H3,(H,20,21)
InChIKeyZRIAELJUCLIMFF-UHFFFAOYSA-N
XLogP10.61
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.97
LogP ≤ 510.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxytetradecanoic acid;titanium
CID 174290276
2-hydroxyheptanoic acid
CID 2750949
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
(2R)-2-hydroxyhexanoic acid
CID 6995511
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyoctadecanoic acid?
The IUPAC name of 2-hydroxyoctadecanoic acid (CID 87724091) is 2-hydroxyoctadecanoic acid.
What is the SMILES notation for 2-hydroxyoctadecanoic acid?
The canonical SMILES for 2-hydroxyoctadecanoic acid is CCCCCCCCCCCCCCCCC(O)C(=O)O.CCCCCCCCCCCCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxyoctadecanoic acid?
The InChIKey is ZRIAELJUCLIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H36O3/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2*17,19H,2-16H2,1H3,(H,20,21).
What are the key properties of 2-hydroxyoctadecanoic acid?
2-hydroxyoctadecanoic acid has a molecular weight of 600.97 g/mol, XLogP of 10.61, 32 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyoctadecanoic acid is sourced from PubChem (CID 87724091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).