carbon dioxide;tricosanoic acid

C24H46O4 — CID 162218172

IUPACcarbon dioxide;tricosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)O.O=C=O
InChIInChI=1S/C23H46O2.CO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;2-1-3/h2-22H2,1H3,(H,24,25);
InChIKeyZTTIFFIGMZDMBT-UHFFFAOYSA-N
MW398.63 g/mol
LogP7.70
Rot. Bonds21

About carbon dioxide;tricosanoic acid

carbon dioxide;tricosanoic acid (PubChem CID 162218172) has the molecular formula C24H46O4 and a molecular weight of 398.63 g/mol. Its IUPAC name is carbon dioxide;tricosanoic acid.

Molecular Properties

Compound Namecarbon dioxide;tricosanoic acid
PubChem CID162218172
Molecular FormulaC24H46O4
Molecular Weight398.63 g/mol
Exact Mass398.34
IUPAC Namecarbon dioxide;tricosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)O.O=C=O
InChIInChI=1S/C23H46O2.CO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;2-1-3/h2-22H2,1H3,(H,24,25);
InChIKeyZTTIFFIGMZDMBT-UHFFFAOYSA-N
XLogP7.70
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;tricosanoic acid?
The IUPAC name of carbon dioxide;tricosanoic acid (CID 162218172) is carbon dioxide;tricosanoic acid.
What is the SMILES notation for carbon dioxide;tricosanoic acid?
The canonical SMILES for carbon dioxide;tricosanoic acid is CCCCCCCCCCCCCCCCCCCCCCC(=O)O.O=C=O.
What is the InChIKey of carbon dioxide;tricosanoic acid?
The InChIKey is ZTTIFFIGMZDMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2.CO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;2-1-3/h2-22H2,1H3,(H,24,25);.
What are the key properties of carbon dioxide;tricosanoic acid?
carbon dioxide;tricosanoic acid has a molecular weight of 398.63 g/mol, XLogP of 7.70, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;tricosanoic acid is sourced from PubChem (CID 162218172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).