1-oxacyclotricos-18-ene

C22H42O — CID 57206831

IUPAC1-oxacyclotricos-18-ene
SMILESC1=CCCCCOCCCCCCCCCCCCCCCC1
InChIInChI=1S/C22H42O/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h11,13H,1-10,12,14-22H2
InChIKeyWFFNOZMJVITMBS-UHFFFAOYSA-N
MW322.58 g/mol
LogP7.59
Rot. Bonds

About 1-oxacyclotricos-18-ene

1-oxacyclotricos-18-ene (PubChem CID 57206831) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-oxacyclotricos-18-ene.

Molecular Properties

Compound Name1-oxacyclotricos-18-ene
PubChem CID57206831
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name1-oxacyclotricos-18-ene
SMILESC1=CCCCCOCCCCCCCCCCCCCCCC1
InChIInChI=1S/C22H42O/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h11,13H,1-10,12,14-22H2
InChIKeyWFFNOZMJVITMBS-UHFFFAOYSA-N
XLogP7.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxacyclotricos-18-ene?
The IUPAC name of 1-oxacyclotricos-18-ene (CID 57206831) is 1-oxacyclotricos-18-ene.
What is the SMILES notation for 1-oxacyclotricos-18-ene?
The canonical SMILES for 1-oxacyclotricos-18-ene is C1=CCCCCOCCCCCCCCCCCCCCCC1.
What is the InChIKey of 1-oxacyclotricos-18-ene?
The InChIKey is WFFNOZMJVITMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h11,13H,1-10,12,14-22H2.
What are the key properties of 1-oxacyclotricos-18-ene?
1-oxacyclotricos-18-ene has a molecular weight of 322.58 g/mol, XLogP of 7.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacyclotricos-18-ene is sourced from PubChem (CID 57206831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).