27-hydroxynonacosanoic acid

C29H58O3 — CID 169277027

IUPAC27-hydroxynonacosanoic acid
SMILESCCC(O)CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C29H58O3/c1-2-28(30)26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)32/h28,30H,2-27H2,1H3,(H,31,32)
InChIKeyWDWABACMUOIYGW-UHFFFAOYSA-N
MW454.78 g/mol
LogP9.59
Rot. Bonds27

About 27-hydroxynonacosanoic acid

27-hydroxynonacosanoic acid (PubChem CID 169277027) has the molecular formula C29H58O3 and a molecular weight of 454.78 g/mol. Its IUPAC name is 27-hydroxynonacosanoic acid.

Molecular Properties

Compound Name27-hydroxynonacosanoic acid
PubChem CID169277027
Molecular FormulaC29H58O3
Molecular Weight454.78 g/mol
Exact Mass454.44
IUPAC Name27-hydroxynonacosanoic acid
SMILESCCC(O)CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C29H58O3/c1-2-28(30)26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)32/h28,30H,2-27H2,1H3,(H,31,32)
InChIKeyWDWABACMUOIYGW-UHFFFAOYSA-N
XLogP9.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 59.59
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

15-hydroxyheptadecanoic acid
CID 14454507
(5R)-5-hydroxyheptanoic acid
CID 14029725
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
(8S)-8-hydroxytetradecanoic acid
CID 123133458
21-hydroxypentacosanoic acid
CID 169277058

Frequently Asked Questions

What is the IUPAC name of 27-hydroxynonacosanoic acid?
The IUPAC name of 27-hydroxynonacosanoic acid (CID 169277027) is 27-hydroxynonacosanoic acid.
What is the SMILES notation for 27-hydroxynonacosanoic acid?
The canonical SMILES for 27-hydroxynonacosanoic acid is CCC(O)CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 27-hydroxynonacosanoic acid?
The InChIKey is WDWABACMUOIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58O3/c1-2-28(30)26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)32/h28,30H,2-27H2,1H3,(H,31,32).
What are the key properties of 27-hydroxynonacosanoic acid?
27-hydroxynonacosanoic acid has a molecular weight of 454.78 g/mol, XLogP of 9.59, 27 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 27-hydroxynonacosanoic acid is sourced from PubChem (CID 169277027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).