tricosa-1,22-dien-12-one

C23H42O — CID 86210796

IUPACtricosa-1,22-dien-12-one
SMILESC=CCCCCCCCCCC(=O)CCCCCCCCCC=C
InChIInChI=1S/C23H42O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2
InChIKeyXSXGPOWIKPOMRY-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.95
Rot. Bonds20

About tricosa-1,22-dien-12-one

tricosa-1,22-dien-12-one (PubChem CID 86210796) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is tricosa-1,22-dien-12-one.

Molecular Properties

Compound Nametricosa-1,22-dien-12-one
PubChem CID86210796
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Nametricosa-1,22-dien-12-one
SMILESC=CCCCCCCCCCC(=O)CCCCCCCCCC=C
InChIInChI=1S/C23H42O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2
InChIKeyXSXGPOWIKPOMRY-UHFFFAOYSA-N
XLogP7.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.95
H-Bond Donors ≤ 50
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tricosa-1,22-dien-12-one?
The IUPAC name of tricosa-1,22-dien-12-one (CID 86210796) is tricosa-1,22-dien-12-one.
What is the SMILES notation for tricosa-1,22-dien-12-one?
The canonical SMILES for tricosa-1,22-dien-12-one is C=CCCCCCCCCCC(=O)CCCCCCCCCC=C.
What is the InChIKey of tricosa-1,22-dien-12-one?
The InChIKey is XSXGPOWIKPOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2.
What are the key properties of tricosa-1,22-dien-12-one?
tricosa-1,22-dien-12-one has a molecular weight of 334.59 g/mol, XLogP of 7.95, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricosa-1,22-dien-12-one is sourced from PubChem (CID 86210796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).