4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane

C20H38O6 — CID 15241470

IUPAC4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane
SMILESC1COCCC2CCOCCOCCC(CCO1)CCOCCOCC2
InChIInChI=1S/C20H38O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h19-20H,1-18H2
InChIKeyVQAAHLVTKHHPNZ-UHFFFAOYSA-N
MW374.52 g/mol
LogP2.69
Rot. Bonds

About 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane

4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane (PubChem CID 15241470) has the molecular formula C20H38O6 and a molecular weight of 374.52 g/mol. Its IUPAC name is 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane.

Molecular Properties

Compound Name4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane
PubChem CID15241470
Molecular FormulaC20H38O6
Molecular Weight374.52 g/mol
Exact Mass374.27
IUPAC Name4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane
SMILESC1COCCC2CCOCCOCCC(CCO1)CCOCCOCC2
InChIInChI=1S/C20H38O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h19-20H,1-18H2
InChIKeyVQAAHLVTKHHPNZ-UHFFFAOYSA-N
XLogP2.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane?
The IUPAC name of 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane (CID 15241470) is 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane.
What is the SMILES notation for 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane?
The canonical SMILES for 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane is C1COCCC2CCOCCOCCC(CCO1)CCOCCOCC2.
What is the InChIKey of 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane?
The InChIKey is VQAAHLVTKHHPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h19-20H,1-18H2.
What are the key properties of 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane?
4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane has a molecular weight of 374.52 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane is sourced from PubChem (CID 15241470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).