2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene

C16H24O6 — CID 585779

IUPAC2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
SMILESc1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2
InChIKeyDSFHXKRFDFROER-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.52
Rot. Bonds

About 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene

2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene (PubChem CID 585779) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene.

Molecular Properties

Compound Name2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
PubChem CID585779
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
SMILESc1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2
InChIKeyDSFHXKRFDFROER-UHFFFAOYSA-N
XLogP1.52
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.52
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]docosa-1(22),18,20-triene?
The IUPAC name of 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene (CID 585779) is 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene.
What is the SMILES notation for 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene?
The canonical SMILES for 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene is c1ccc2c(c1)OCCOCCOCCOCCOCCO2.
What is the InChIKey of 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene?
The InChIKey is DSFHXKRFDFROER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2.
What are the key properties of 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene?
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene has a molecular weight of 312.36 g/mol, XLogP of 1.52, 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]docosa-1(22),18,20-triene is sourced from PubChem (CID 585779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).