11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C23H20O2 — CID 12742317

IUPAC11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC1(C)C2(c3ccccc3)OOC1(c1ccccc1)c1ccccc12
InChIInChI=1S/C23H20O2/c1-21(2)22(17-11-5-3-6-12-17)19-15-9-10-16-20(19)23(21,25-24-22)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyYLDIYDBIYZQJEN-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.18
Rot. Bonds2

About 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 12742317) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID12742317
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC1(C)C2(c3ccccc3)OOC1(c1ccccc1)c1ccccc12
InChIInChI=1S/C23H20O2/c1-21(2)22(17-11-5-3-6-12-17)19-15-9-10-16-20(19)23(21,25-24-22)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyYLDIYDBIYZQJEN-UHFFFAOYSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene with MolForge

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Related Compounds

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CID 10690019
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2,3,3,4,4-pentamethyl-2-phenylchromene
CID 57198131
2-methyl-4,4,5,5-tetraphenyl-1,3,2-dioxalumolane
CID 16688767
(1S,8S,9R,11R)-1,8,9,10,11-pentakis-phenyl-12-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 98509228
3,3-diphenoxy-4,4-diphenyldioxetane
CID 5259829
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
1,8-dimethyl-15,16,17-trioxatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene
CID 165346598
1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane
CID 134979823
(2,2,3-trimethyl-4,4-diphenyloxetan-3-yl)methanol
CID 15531973
(1S,8S,10S,11R)-10-methyl-1,8,11-triphenyl-12-oxa-9-azatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 98533218
1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
CID 134994319

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 12742317) is 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is CC1(C)C2(c3ccccc3)OOC1(c1ccccc1)c1ccccc12.
What is the InChIKey of 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is YLDIYDBIYZQJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-21(2)22(17-11-5-3-6-12-17)19-15-9-10-16-20(19)23(21,25-24-22)18-13-7-4-8-14-18/h3-16H,1-2H3.
What are the key properties of 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 328.41 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 12742317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).