19-cyclohexylnonadecanoic acid

C25H48O2 — CID 71352938

IUPAC19-cyclohexylnonadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C25H48O2/c26-25(27)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h24H,1-23H2,(H,26,27)
InChIKeySFDXOAJKTHCNCD-UHFFFAOYSA-N
MW380.66 g/mol
LogP8.67
Rot. Bonds19

About 19-cyclohexylnonadecanoic acid

19-cyclohexylnonadecanoic acid (PubChem CID 71352938) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 19-cyclohexylnonadecanoic acid.

Molecular Properties

Compound Name19-cyclohexylnonadecanoic acid
PubChem CID71352938
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Name19-cyclohexylnonadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C25H48O2/c26-25(27)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h24H,1-23H2,(H,26,27)
InChIKeySFDXOAJKTHCNCD-UHFFFAOYSA-N
XLogP8.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-cyclohexylbutanoic acid;λ2-plumbane
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Frequently Asked Questions

What is the IUPAC name of 19-cyclohexylnonadecanoic acid?
The IUPAC name of 19-cyclohexylnonadecanoic acid (CID 71352938) is 19-cyclohexylnonadecanoic acid.
What is the SMILES notation for 19-cyclohexylnonadecanoic acid?
The canonical SMILES for 19-cyclohexylnonadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of 19-cyclohexylnonadecanoic acid?
The InChIKey is SFDXOAJKTHCNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2/c26-25(27)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h24H,1-23H2,(H,26,27).
What are the key properties of 19-cyclohexylnonadecanoic acid?
19-cyclohexylnonadecanoic acid has a molecular weight of 380.66 g/mol, XLogP of 8.67, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexylnonadecanoic acid is sourced from PubChem (CID 71352938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).