5-hydroxytriacontanoic acid

C30H60O3 — CID 163192769

IUPAC5-hydroxytriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(31)27-25-28-30(32)33/h29,31H,2-28H2,1H3,(H,32,33)
InChIKeyULGIGTGZSWKRAA-UHFFFAOYSA-N
MW468.81 g/mol
LogP9.98
Rot. Bonds28

About 5-hydroxytriacontanoic acid

5-hydroxytriacontanoic acid (PubChem CID 163192769) has the molecular formula C30H60O3 and a molecular weight of 468.81 g/mol. Its IUPAC name is 5-hydroxytriacontanoic acid.

Molecular Properties

Compound Name5-hydroxytriacontanoic acid
PubChem CID163192769
Molecular FormulaC30H60O3
Molecular Weight468.81 g/mol
Exact Mass468.45
IUPAC Name5-hydroxytriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(31)27-25-28-30(32)33/h29,31H,2-28H2,1H3,(H,32,33)
InChIKeyULGIGTGZSWKRAA-UHFFFAOYSA-N
XLogP9.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 59.98
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

12-Hydroxystearic acid
CID 7789
10-Hydroxystearic Acid
CID 9561835
Methyl 12-hydroxystearate
CID 8840
16-Hydroxyhexadecanoic acid
CID 10466
9,10-Dihydroxystearic acid
CID 89377
3-Hydroxyhexadecanoic acid
CID 301590
3R-Hydroxypalmitic acid
CID 15569776
Methyl 16-hydroxyhexadecanoate
CID 3496888
Lithium hydroxystearate
CID 23668746
Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)
CID 102376
(+-)-7-Hydroxyoctanoic acid
CID 167627
Methyl 5-hydroxydecanoate
CID 14029718

Frequently Asked Questions

What is the IUPAC name of 5-hydroxytriacontanoic acid?
The IUPAC name of 5-hydroxytriacontanoic acid (CID 163192769) is 5-hydroxytriacontanoic acid.
What is the SMILES notation for 5-hydroxytriacontanoic acid?
The canonical SMILES for 5-hydroxytriacontanoic acid is CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxytriacontanoic acid?
The InChIKey is ULGIGTGZSWKRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(31)27-25-28-30(32)33/h29,31H,2-28H2,1H3,(H,32,33).
What are the key properties of 5-hydroxytriacontanoic acid?
5-hydroxytriacontanoic acid has a molecular weight of 468.81 g/mol, XLogP of 9.98, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxytriacontanoic acid is sourced from PubChem (CID 163192769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).