8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene

C24H16O2 — CID 11850801

IUPAC8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene
SMILESc1ccc2c(c1)Oc1ccccc1-c1ccccc1Oc1ccccc1-2
InChIInChI=1S/C24H16O2/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25-21/h1-16H
InChIKeyQHFOOEQXOXGIGA-UHFFFAOYSA-N
MW336.39 g/mol
LogP6.92
Rot. Bonds

About 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene

8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene (PubChem CID 11850801) has the molecular formula C24H16O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene.

Molecular Properties

Compound Name8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene
PubChem CID11850801
Molecular FormulaC24H16O2
Molecular Weight336.39 g/mol
Exact Mass336.12
IUPAC Name8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene
SMILESc1ccc2c(c1)Oc1ccccc1-c1ccccc1Oc1ccccc1-2
InChIInChI=1S/C24H16O2/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25-21/h1-16H
InChIKeyQHFOOEQXOXGIGA-UHFFFAOYSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene?
The IUPAC name of 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene (CID 11850801) is 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene.
What is the SMILES notation for 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene?
The canonical SMILES for 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene is c1ccc2c(c1)Oc1ccccc1-c1ccccc1Oc1ccccc1-2.
What is the InChIKey of 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene?
The InChIKey is QHFOOEQXOXGIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O2/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25-21/h1-16H.
What are the key properties of 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene?
8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene has a molecular weight of 336.39 g/mol, XLogP of 6.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene is sourced from PubChem (CID 11850801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).