2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene

C20H16O6 — CID 57186040

IUPAC2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene
SMILESC1=COc2ccccc2OC=COC=COc2ccccc2OC=CO1
InChIInChI=1S/C20H16O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-16H
InChIKeyHZGUEEQQQRCPDY-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.83
Rot. Bonds

About 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene

2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene (PubChem CID 57186040) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene.

Molecular Properties

Compound Name2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene
PubChem CID57186040
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene
SMILESC1=COc2ccccc2OC=COC=COc2ccccc2OC=CO1
InChIInChI=1S/C20H16O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-16H
InChIKeyHZGUEEQQQRCPDY-UHFFFAOYSA-N
XLogP4.83
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene?
The IUPAC name of 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene (CID 57186040) is 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene.
What is the SMILES notation for 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene?
The canonical SMILES for 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene is C1=COc2ccccc2OC=COC=COc2ccccc2OC=CO1.
What is the InChIKey of 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene?
The InChIKey is HZGUEEQQQRCPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-16H.
What are the key properties of 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene?
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene has a molecular weight of 352.34 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene is sourced from PubChem (CID 57186040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).