2-(10-hydroxydecyl)icosanoic acid

C30H60O3 — CID 87534717

IUPAC2-(10-hydroxydecyl)icosanoic acid
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCO)C(=O)O
InChIInChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29(30(32)33)27-24-21-18-15-16-19-22-25-28-31/h29,31H,2-28H2,1H3,(H,32,33)
InChIKeyMEQJKSADWJXMLF-UHFFFAOYSA-N
MW468.81 g/mol
LogP9.84
Rot. Bonds28

About 2-(10-hydroxydecyl)icosanoic acid

2-(10-hydroxydecyl)icosanoic acid (PubChem CID 87534717) has the molecular formula C30H60O3 and a molecular weight of 468.81 g/mol. Its IUPAC name is 2-(10-hydroxydecyl)icosanoic acid.

Molecular Properties

Compound Name2-(10-hydroxydecyl)icosanoic acid
PubChem CID87534717
Molecular FormulaC30H60O3
Molecular Weight468.81 g/mol
Exact Mass468.45
IUPAC Name2-(10-hydroxydecyl)icosanoic acid
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCO)C(=O)O
InChIInChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29(30(32)33)27-24-21-18-15-16-19-22-25-28-31/h29,31H,2-28H2,1H3,(H,32,33)
InChIKeyMEQJKSADWJXMLF-UHFFFAOYSA-N
XLogP9.84
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 ≤ 59.84
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

2-(4-hydroxybutyl)octadecanoic acid
CID 88766543
2-(2-hydroxyethyl)tetradecanoic acid
CID 54117326
2-(2-hydroxyethyl)octadecanoic acid
CID 19915552
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
(2S)-2-heptyldecanoic acid
CID 171991627
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823

Frequently Asked Questions

What is the IUPAC name of 2-(10-hydroxydecyl)icosanoic acid?
The IUPAC name of 2-(10-hydroxydecyl)icosanoic acid (CID 87534717) is 2-(10-hydroxydecyl)icosanoic acid.
What is the SMILES notation for 2-(10-hydroxydecyl)icosanoic acid?
The canonical SMILES for 2-(10-hydroxydecyl)icosanoic acid is CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCO)C(=O)O.
What is the InChIKey of 2-(10-hydroxydecyl)icosanoic acid?
The InChIKey is MEQJKSADWJXMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29(30(32)33)27-24-21-18-15-16-19-22-25-28-31/h29,31H,2-28H2,1H3,(H,32,33).
What are the key properties of 2-(10-hydroxydecyl)icosanoic acid?
2-(10-hydroxydecyl)icosanoic acid has a molecular weight of 468.81 g/mol, XLogP of 9.84, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-hydroxydecyl)icosanoic acid is sourced from PubChem (CID 87534717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).