17-hydroxyoctadecanoic acid

C18H36O3 — CID 5282914

IUPAC17-hydroxyoctadecanoic acid
SMILESCC(O)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyCKGPXFKOAGKQDN-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.30
Rot. Bonds16

About 17-hydroxyoctadecanoic acid

17-hydroxyoctadecanoic acid (PubChem CID 5282914) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 17-hydroxyoctadecanoic acid.

Molecular Properties

Compound Name17-hydroxyoctadecanoic acid
PubChem CID5282914
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name17-hydroxyoctadecanoic acid
SMILESCC(O)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKeyCKGPXFKOAGKQDN-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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Frequently Asked Questions

What is the IUPAC name of 17-hydroxyoctadecanoic acid?
The IUPAC name of 17-hydroxyoctadecanoic acid (CID 5282914) is 17-hydroxyoctadecanoic acid.
What is the SMILES notation for 17-hydroxyoctadecanoic acid?
The canonical SMILES for 17-hydroxyoctadecanoic acid is CC(O)CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 17-hydroxyoctadecanoic acid?
The InChIKey is CKGPXFKOAGKQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21).
What are the key properties of 17-hydroxyoctadecanoic acid?
17-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 17-hydroxyoctadecanoic acid is sourced from PubChem (CID 5282914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).