tricos-22-enoic acid

C23H44O2 — CID 543855

IUPACtricos-22-enoic acid
SMILESC=CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H44O2/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/h2H,1,3-22H2,(H,24,25)
InChIKeyYGTSVJQQDISEHZ-UHFFFAOYSA-N
MW352.60 g/mol
LogP8.06
Rot. Bonds21

About tricos-22-enoic acid

tricos-22-enoic acid (PubChem CID 543855) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is tricos-22-enoic acid.

Molecular Properties

Compound Nametricos-22-enoic acid
PubChem CID543855
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Nametricos-22-enoic acid
SMILESC=CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H44O2/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/h2H,1,3-22H2,(H,24,25)
InChIKeyYGTSVJQQDISEHZ-UHFFFAOYSA-N
XLogP8.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricos-22-enoic acid?
The IUPAC name of tricos-22-enoic acid (CID 543855) is tricos-22-enoic acid.
What is the SMILES notation for tricos-22-enoic acid?
The canonical SMILES for tricos-22-enoic acid is C=CCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of tricos-22-enoic acid?
The InChIKey is YGTSVJQQDISEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/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/h2H,1,3-22H2,(H,24,25).
What are the key properties of tricos-22-enoic acid?
tricos-22-enoic acid has a molecular weight of 352.60 g/mol, XLogP of 8.06, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricos-22-enoic acid is sourced from PubChem (CID 543855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).