9-cyclohexyloxyoctadecanoic acid

C24H46O3 — CID 22371636

IUPAC9-cyclohexyloxyoctadecanoic acid
SMILESCCCCCCCCCC(CCCCCCCC(=O)O)OC1CCCCC1
InChIInChI=1S/C24H46O3/c1-2-3-4-5-6-8-12-17-22(27-23-19-14-11-15-20-23)18-13-9-7-10-16-21-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)
InChIKeyPWEHVHMAWGGYLC-UHFFFAOYSA-N
MW382.63 g/mol
LogP7.66
Rot. Bonds18

About 9-cyclohexyloxyoctadecanoic acid

9-cyclohexyloxyoctadecanoic acid (PubChem CID 22371636) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 9-cyclohexyloxyoctadecanoic acid.

Molecular Properties

Compound Name9-cyclohexyloxyoctadecanoic acid
PubChem CID22371636
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name9-cyclohexyloxyoctadecanoic acid
SMILESCCCCCCCCCC(CCCCCCCC(=O)O)OC1CCCCC1
InChIInChI=1S/C24H46O3/c1-2-3-4-5-6-8-12-17-22(27-23-19-14-11-15-20-23)18-13-9-7-10-16-21-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)
InChIKeyPWEHVHMAWGGYLC-UHFFFAOYSA-N
XLogP7.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

13-methoxyhenicosanoic acid
CID 15389271
tris(cyclododecanol);hexadecanoic acid
CID 175985554
13-hydroperoxyoctadecanoic acid
CID 86209099
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
6,9,12-trimethoxyoctadecanoic acid
CID 22371562
9-tridecanoyloxytricosanoic acid
CID 138304603
12-tetradecanoyloxyheptadecanoic acid
CID 133048404
10-pentadecanoyloxytetracosanoic acid
CID 133048699
9-pentadecanoyloxynonadecanoic acid
CID 138160959
9-docosanoyloxynonadecanoic acid
CID 138220014
7-docosanoyloxytetracosanoic acid
CID 133050791
15-tetracosanoyloxydocosanoic acid
CID 133051688

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyloxyoctadecanoic acid?
The IUPAC name of 9-cyclohexyloxyoctadecanoic acid (CID 22371636) is 9-cyclohexyloxyoctadecanoic acid.
What is the SMILES notation for 9-cyclohexyloxyoctadecanoic acid?
The canonical SMILES for 9-cyclohexyloxyoctadecanoic acid is CCCCCCCCCC(CCCCCCCC(=O)O)OC1CCCCC1.
What is the InChIKey of 9-cyclohexyloxyoctadecanoic acid?
The InChIKey is PWEHVHMAWGGYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-2-3-4-5-6-8-12-17-22(27-23-19-14-11-15-20-23)18-13-9-7-10-16-21-24(25)26/h22-23H,2-21H2,1H3,(H,25,26).
What are the key properties of 9-cyclohexyloxyoctadecanoic acid?
9-cyclohexyloxyoctadecanoic acid has a molecular weight of 382.63 g/mol, XLogP of 7.66, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyloxyoctadecanoic acid is sourced from PubChem (CID 22371636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).