12-hydroxyoctadecanoic acid

C18H36O3 — CID 7789

IUPAC12-hydroxyoctadecanoic acid
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyULQISTXYYBZJSJ-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.30
Rot. Bonds16

About 12-hydroxyoctadecanoic acid

12-hydroxyoctadecanoic acid (PubChem CID 7789) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 12-hydroxyoctadecanoic acid.

Molecular Properties

Compound Name12-hydroxyoctadecanoic acid
PubChem CID7789
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name12-hydroxyoctadecanoic acid
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyULQISTXYYBZJSJ-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

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CID 985
Stearic Acid
CID 5281
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CID 8215
Isopropyl Myristate
CID 8042
Heptadecanoic Acid
CID 10465
Isopropyl Palmitate
CID 8907
Monostearin
CID 24699
Hexacosanoic Acid
CID 10469
Eicosanoic Acid
CID 10467
Hydroxycaprylic Acid
CID 94180
Propylene Glycol Monostearate
CID 14878
Glyceryl Myristate
CID 79050

Frequently Asked Questions

What is the IUPAC name of 12-hydroxyoctadecanoic acid?
The IUPAC name of 12-hydroxyoctadecanoic acid (CID 7789) is 12-hydroxyoctadecanoic acid.
What is the SMILES notation for 12-hydroxyoctadecanoic acid?
The canonical SMILES for 12-hydroxyoctadecanoic acid is CCCCCCC(O)CCCCCCCCCCC(=O)O.
What is the InChIKey of 12-hydroxyoctadecanoic acid?
The InChIKey is ULQISTXYYBZJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21).
What are the key properties of 12-hydroxyoctadecanoic acid?
12-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 12-hydroxyoctadecanoic acid is sourced from PubChem (CID 7789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).