14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid

C24H42Cl2O2 — CID 142644074

IUPAC14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCC1(C2CCCC2)CCCC1(Cl)Cl
InChIInChI=1S/C24H42Cl2O2/c25-24(26)20-14-19-23(24,21-15-11-12-16-21)18-13-9-7-5-3-1-2-4-6-8-10-17-22(27)28/h21H,1-20H2,(H,27,28)
InChIKeyBKDFIDWLJLQALZ-UHFFFAOYSA-N
MW433.50 g/mol
LogP8.68
Rot. Bonds15

About 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid

14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid (PubChem CID 142644074) has the molecular formula C24H42Cl2O2 and a molecular weight of 433.50 g/mol. Its IUPAC name is 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid.

Molecular Properties

Compound Name14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid
PubChem CID142644074
Molecular FormulaC24H42Cl2O2
Molecular Weight433.50 g/mol
Exact Mass432.26
IUPAC Name14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCC1(C2CCCC2)CCCC1(Cl)Cl
InChIInChI=1S/C24H42Cl2O2/c25-24(26)20-14-19-23(24,21-15-11-12-16-21)18-13-9-7-5-3-1-2-4-6-8-10-17-22(27)28/h21H,1-20H2,(H,27,28)
InChIKeyBKDFIDWLJLQALZ-UHFFFAOYSA-N
XLogP8.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid?
The IUPAC name of 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid (CID 142644074) is 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid.
What is the SMILES notation for 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid?
The canonical SMILES for 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid is O=C(O)CCCCCCCCCCCCCC1(C2CCCC2)CCCC1(Cl)Cl.
What is the InChIKey of 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid?
The InChIKey is BKDFIDWLJLQALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42Cl2O2/c25-24(26)20-14-19-23(24,21-15-11-12-16-21)18-13-9-7-5-3-1-2-4-6-8-10-17-22(27)28/h21H,1-20H2,(H,27,28).
What are the key properties of 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid?
14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid has a molecular weight of 433.50 g/mol, XLogP of 8.68, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid is sourced from PubChem (CID 142644074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).