2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane

C16H30O6 — CID 2724842

IUPAC2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
SMILESC1CCC2OCCOCCOCCOCCOCCOC2C1
InChIInChI=1S/C16H30O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h15-16H,1-14H2
InChIKeyOOTXYRWENZEKDS-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.41
Rot. Bonds

About 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane

2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane (PubChem CID 2724842) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane.

Molecular Properties

Compound Name2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
PubChem CID2724842
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
SMILESC1CCC2OCCOCCOCCOCCOCCOC2C1
InChIInChI=1S/C16H30O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h15-16H,1-14H2
InChIKeyOOTXYRWENZEKDS-UHFFFAOYSA-N
XLogP1.41
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The IUPAC name of 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane (CID 2724842) is 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane.
What is the SMILES notation for 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The canonical SMILES for 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane is C1CCC2OCCOCCOCCOCCOCCOC2C1.
What is the InChIKey of 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
The InChIKey is OOTXYRWENZEKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h15-16H,1-14H2.
What are the key properties of 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane?
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane has a molecular weight of 318.41 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane is sourced from PubChem (CID 2724842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).