9-hydroxytriacontanoic acid

C30H60O3 — CID 169277258

IUPAC9-hydroxytriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)CCCCCCCC(=O)O
InChIInChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29(31)27-24-21-19-22-25-28-30(32)33/h29,31H,2-28H2,1H3,(H,32,33)
InChIKeyCRFIHALUOJXUMS-UHFFFAOYSA-N
MW468.81 g/mol
LogP9.98
Rot. Bonds28

About 9-hydroxytriacontanoic acid

9-hydroxytriacontanoic acid (PubChem CID 169277258) has the molecular formula C30H60O3 and a molecular weight of 468.81 g/mol. Its IUPAC name is 9-hydroxytriacontanoic acid.

Molecular Properties

Compound Name9-hydroxytriacontanoic acid
PubChem CID169277258
Molecular FormulaC30H60O3
Molecular Weight468.81 g/mol
Exact Mass468.45
IUPAC Name9-hydroxytriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)CCCCCCCC(=O)O
InChIInChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29(31)27-24-21-19-22-25-28-30(32)33/h29,31H,2-28H2,1H3,(H,32,33)
InChIKeyCRFIHALUOJXUMS-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

21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392
20-hydroxyheptacosanoic acid
CID 169277503

Frequently Asked Questions

What is the IUPAC name of 9-hydroxytriacontanoic acid?
The IUPAC name of 9-hydroxytriacontanoic acid (CID 169277258) is 9-hydroxytriacontanoic acid.
What is the SMILES notation for 9-hydroxytriacontanoic acid?
The canonical SMILES for 9-hydroxytriacontanoic acid is CCCCCCCCCCCCCCCCCCCCCC(O)CCCCCCCC(=O)O.
What is the InChIKey of 9-hydroxytriacontanoic acid?
The InChIKey is CRFIHALUOJXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29(31)27-24-21-19-22-25-28-30(32)33/h29,31H,2-28H2,1H3,(H,32,33).
What are the key properties of 9-hydroxytriacontanoic acid?
9-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 9-hydroxytriacontanoic acid is sourced from PubChem (CID 169277258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).