2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene

C20H28O6 — CID 91247030

IUPAC2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene
SMILESC1=COC2=C(CCCCCCOC3=CCOC=C3COCCOCC2)O1
InChIInChI=1S/C20H28O6/c1-2-4-8-24-18-6-10-22-15-17(18)16-23-12-11-21-9-7-20-19(5-3-1)25-13-14-26-20/h6,13-15H,1-5,7-12,16H2
InChIKeyXTJDSBFNAXXFCQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.92
Rot. Bonds

About 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene

2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene (PubChem CID 91247030) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene.

Molecular Properties

Compound Name2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene
PubChem CID91247030
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene
SMILESC1=COC2=C(CCCCCCOC3=CCOC=C3COCCOCC2)O1
InChIInChI=1S/C20H28O6/c1-2-4-8-24-18-6-10-22-15-17(18)16-23-12-11-21-9-7-20-19(5-3-1)25-13-14-26-20/h6,13-15H,1-5,7-12,16H2
InChIKeyXTJDSBFNAXXFCQ-UHFFFAOYSA-N
XLogP3.92
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene?
The IUPAC name of 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene (CID 91247030) is 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene.
What is the SMILES notation for 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene?
The canonical SMILES for 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene is C1=COC2=C(CCCCCCOC3=CCOC=C3COCCOCC2)O1.
What is the InChIKey of 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene?
The InChIKey is XTJDSBFNAXXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6/c1-2-4-8-24-18-6-10-22-15-17(18)16-23-12-11-21-9-7-20-19(5-3-1)25-13-14-26-20/h6,13-15H,1-5,7-12,16H2.
What are the key properties of 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene?
2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene has a molecular weight of 364.44 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,13,17,20,24-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene is sourced from PubChem (CID 91247030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).