25-oxabicyclo[22.1.0]pentacosane

C24H46O — CID 156633217

IUPAC25-oxabicyclo[22.1.0]pentacosane
SMILESC1CCCCCCCCCCCC2OC2CCCCCCCCCC1
InChIInChI=1S/C24H46O/c1-2-4-6-8-10-12-14-16-18-20-22-24-23(25-24)21-19-17-15-13-11-9-7-5-3-1/h23-24H,1-22H2
InChIKeyKUOAEWUACPYCFB-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.35
Rot. Bonds

About 25-oxabicyclo[22.1.0]pentacosane

25-oxabicyclo[22.1.0]pentacosane (PubChem CID 156633217) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 25-oxabicyclo[22.1.0]pentacosane.

Molecular Properties

Compound Name25-oxabicyclo[22.1.0]pentacosane
PubChem CID156633217
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name25-oxabicyclo[22.1.0]pentacosane
SMILESC1CCCCCCCCCCCC2OC2CCCCCCCCCC1
InChIInChI=1S/C24H46O/c1-2-4-6-8-10-12-14-16-18-20-22-24-23(25-24)21-19-17-15-13-11-9-7-5-3-1/h23-24H,1-22H2
InChIKeyKUOAEWUACPYCFB-UHFFFAOYSA-N
XLogP8.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 25-oxabicyclo[22.1.0]pentacosane?
The IUPAC name of 25-oxabicyclo[22.1.0]pentacosane (CID 156633217) is 25-oxabicyclo[22.1.0]pentacosane.
What is the SMILES notation for 25-oxabicyclo[22.1.0]pentacosane?
The canonical SMILES for 25-oxabicyclo[22.1.0]pentacosane is C1CCCCCCCCCCCC2OC2CCCCCCCCCC1.
What is the InChIKey of 25-oxabicyclo[22.1.0]pentacosane?
The InChIKey is KUOAEWUACPYCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-2-4-6-8-10-12-14-16-18-20-22-24-23(25-24)21-19-17-15-13-11-9-7-5-3-1/h23-24H,1-22H2.
What are the key properties of 25-oxabicyclo[22.1.0]pentacosane?
25-oxabicyclo[22.1.0]pentacosane has a molecular weight of 350.63 g/mol, XLogP of 8.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 25-oxabicyclo[22.1.0]pentacosane is sourced from PubChem (CID 156633217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).