2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione

C22H24O6 — CID 102529624

IUPAC2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione
SMILESO=C1OCCCCOc2ccccc2OCCCCOC(=O)c2ccccc21
InChIInChI=1S/C22H24O6/c23-21-17-9-1-2-10-18(17)22(24)28-16-8-6-14-26-20-12-4-3-11-19(20)25-13-5-7-15-27-21/h1-4,9-12H,5-8,13-16H2
InChIKeyVNXSLLIMYRRRRZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.03
Rot. Bonds

About 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione

2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione (PubChem CID 102529624) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione.

Molecular Properties

Compound Name2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione
PubChem CID102529624
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione
SMILESO=C1OCCCCOc2ccccc2OCCCCOC(=O)c2ccccc21
InChIInChI=1S/C22H24O6/c23-21-17-9-1-2-10-18(17)22(24)28-16-8-6-14-26-20-12-4-3-11-19(20)25-13-5-7-15-27-21/h1-4,9-12H,5-8,13-16H2
InChIKeyVNXSLLIMYRRRRZ-UHFFFAOYSA-N
XLogP4.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione?
The IUPAC name of 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione (CID 102529624) is 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione.
What is the SMILES notation for 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione?
The canonical SMILES for 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione is O=C1OCCCCOc2ccccc2OCCCCOC(=O)c2ccccc21.
What is the InChIKey of 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione?
The InChIKey is VNXSLLIMYRRRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6/c23-21-17-9-1-2-10-18(17)22(24)28-16-8-6-14-26-20-12-4-3-11-19(20)25-13-5-7-15-27-21/h1-4,9-12H,5-8,13-16H2.
What are the key properties of 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione?
2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione has a molecular weight of 384.43 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione is sourced from PubChem (CID 102529624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).