2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene

C24H32O8 — CID 101463672

IUPAC2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene
SMILESc1cc2ccc1OCCOCCOCCOc1ccc(cc1)OCCOCCOCCO2
InChIInChI=1S/C24H32O8/c1-2-22-4-3-21(1)29-17-13-25-9-10-27-15-19-31-23-5-7-24(8-6-23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2
InChIKeyAIHFEERPLHCERY-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.98
Rot. Bonds

About 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene

2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene (PubChem CID 101463672) has the molecular formula C24H32O8 and a molecular weight of 448.51 g/mol. Its IUPAC name is 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene.

Molecular Properties

Compound Name2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene
PubChem CID101463672
Molecular FormulaC24H32O8
Molecular Weight448.51 g/mol
Exact Mass448.21
IUPAC Name2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene
SMILESc1cc2ccc1OCCOCCOCCOc1ccc(cc1)OCCOCCOCCO2
InChIInChI=1S/C24H32O8/c1-2-22-4-3-21(1)29-17-13-25-9-10-27-15-19-31-23-5-7-24(8-6-23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2
InChIKeyAIHFEERPLHCERY-UHFFFAOYSA-N
XLogP2.98
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene?
The IUPAC name of 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene (CID 101463672) is 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene.
What is the SMILES notation for 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene?
The canonical SMILES for 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene is c1cc2ccc1OCCOCCOCCOc1ccc(cc1)OCCOCCOCCO2.
What is the InChIKey of 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene?
The InChIKey is AIHFEERPLHCERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O8/c1-2-22-4-3-21(1)29-17-13-25-9-10-27-15-19-31-23-5-7-24(8-6-23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2.
What are the key properties of 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene?
2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene has a molecular weight of 448.51 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,16,19,22,25-octaoxatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaene is sourced from PubChem (CID 101463672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).