cyclotetracosanecarboxylic acid

C25H48O2 — CID 176986816

IUPACcyclotetracosanecarboxylic acid
SMILESO=C(O)C1CCCCCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C25H48O2/c26-25(27)24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-24/h24H,1-23H2,(H,26,27)
InChIKeyZNZGWPCOFKNAEQ-UHFFFAOYSA-N
MW380.66 g/mol
LogP8.67
Rot. Bonds1

About cyclotetracosanecarboxylic acid

cyclotetracosanecarboxylic acid (PubChem CID 176986816) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is cyclotetracosanecarboxylic acid.

Molecular Properties

Compound Namecyclotetracosanecarboxylic acid
PubChem CID176986816
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Namecyclotetracosanecarboxylic acid
SMILESO=C(O)C1CCCCCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C25H48O2/c26-25(27)24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-24/h24H,1-23H2,(H,26,27)
InChIKeyZNZGWPCOFKNAEQ-UHFFFAOYSA-N
XLogP8.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

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cyclohexanecarboxylic acid;octahydrate
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cyclohexanecarboxylic acid;trihydrochloride
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CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
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cyclopentanecarboxylic acid;indigane
CID 173230713
chloromethane;cyclohexanecarboxylic acid
CID 160928112
cyclohexanecarboxylic acid;diiminoazanium
CID 174800103
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CID 161438543

Frequently Asked Questions

What is the IUPAC name of cyclotetracosanecarboxylic acid?
The IUPAC name of cyclotetracosanecarboxylic acid (CID 176986816) is cyclotetracosanecarboxylic acid.
What is the SMILES notation for cyclotetracosanecarboxylic acid?
The canonical SMILES for cyclotetracosanecarboxylic acid is O=C(O)C1CCCCCCCCCCCCCCCCCCCCCCC1.
What is the InChIKey of cyclotetracosanecarboxylic acid?
The InChIKey is ZNZGWPCOFKNAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2/c26-25(27)24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-24/h24H,1-23H2,(H,26,27).
What are the key properties of cyclotetracosanecarboxylic acid?
cyclotetracosanecarboxylic acid has a molecular weight of 380.66 g/mol, XLogP of 8.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotetracosanecarboxylic acid is sourced from PubChem (CID 176986816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).