8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene

C25H26O4 — CID 56650866

IUPAC8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene
SMILESc1cc2ccc1COCOCc1ccc(cc1)Cc1ccc(cc1)COCOC2
InChIInChI=1S/C25H26O4/c1-5-22-6-2-20(1)13-21-3-7-23(8-4-21)15-27-19-29-17-25-11-9-24(10-12-25)16-28-18-26-14-22/h1-12H,13-19H2
InChIKeyJTUHJMIMOXPJJX-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.97
Rot. Bonds

About 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene

8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene (PubChem CID 56650866) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene.

Molecular Properties

Compound Name8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene
PubChem CID56650866
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene
SMILESc1cc2ccc1COCOCc1ccc(cc1)Cc1ccc(cc1)COCOC2
InChIInChI=1S/C25H26O4/c1-5-22-6-2-20(1)13-21-3-7-23(8-4-21)15-27-19-29-17-25-11-9-24(10-12-25)16-28-18-26-14-22/h1-12H,13-19H2
InChIKeyJTUHJMIMOXPJJX-UHFFFAOYSA-N
XLogP4.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene?
The IUPAC name of 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene (CID 56650866) is 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene.
What is the SMILES notation for 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene?
The canonical SMILES for 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene is c1cc2ccc1COCOCc1ccc(cc1)Cc1ccc(cc1)COCOC2.
What is the InChIKey of 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene?
The InChIKey is JTUHJMIMOXPJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-5-22-6-2-20(1)13-21-3-7-23(8-4-21)15-27-19-29-17-25-11-9-24(10-12-25)16-28-18-26-14-22/h1-12H,13-19H2.
What are the key properties of 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene?
8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene has a molecular weight of 390.48 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene is sourced from PubChem (CID 56650866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).