3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene

C24H32O6 — CID 13012462

IUPAC3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene
SMILESc1ccc2c(c1)COCCOCCOCc1ccccc1COCCOCCOC2
InChIInChI=1S/C24H32O6/c1-2-6-22-18-28-14-10-26-12-16-30-20-24-8-4-3-7-23(24)19-29-15-11-25-9-13-27-17-21(22)5-1/h1-8H,9-20H2
InChIKeyFEDRJTWISVIOPX-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.50
Rot. Bonds

About 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene

3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene (PubChem CID 13012462) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene.

Molecular Properties

Compound Name3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene
PubChem CID13012462
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene
SMILESc1ccc2c(c1)COCCOCCOCc1ccccc1COCCOCCOC2
InChIInChI=1S/C24H32O6/c1-2-6-22-18-28-14-10-26-12-16-30-20-24-8-4-3-7-23(24)19-29-15-11-25-9-13-27-17-21(22)5-1/h1-8H,9-20H2
InChIKeyFEDRJTWISVIOPX-UHFFFAOYSA-N
XLogP3.50
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene?
The IUPAC name of 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene (CID 13012462) is 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene.
What is the SMILES notation for 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene?
The canonical SMILES for 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene is c1ccc2c(c1)COCCOCCOCc1ccccc1COCCOCCOC2.
What is the InChIKey of 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene?
The InChIKey is FEDRJTWISVIOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O6/c1-2-6-22-18-28-14-10-26-12-16-30-20-24-8-4-3-7-23(24)19-29-15-11-25-9-13-27-17-21(22)5-1/h1-8H,9-20H2.
What are the key properties of 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene?
3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene has a molecular weight of 416.51 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene is sourced from PubChem (CID 13012462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).