2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane

C21H24OSe2 — CID 14959257

IUPAC2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane
SMILESCC1(C)CC(C)(C)C2(c3ccccc3)OC1(c1ccccc1)[Se][Se]2
InChIInChI=1S/C21H24OSe2/c1-18(2)15-19(3,4)21(17-13-9-6-10-14-17)22-20(18,23-24-21)16-11-7-5-8-12-16/h5-14H,15H2,1-4H3
InChIKeyIJOUVPQTGOWDRD-UHFFFAOYSA-N
MW450.34 g/mol
LogP4.50
Rot. Bonds2

About 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane

2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane (PubChem CID 14959257) has the molecular formula C21H24OSe2 and a molecular weight of 450.34 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane
PubChem CID14959257
Molecular FormulaC21H24OSe2
Molecular Weight450.34 g/mol
Exact Mass452.02
IUPAC Name2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane
SMILESCC1(C)CC(C)(C)C2(c3ccccc3)OC1(c1ccccc1)[Se][Se]2
InChIInChI=1S/C21H24OSe2/c1-18(2)15-19(3,4)21(17-13-9-6-10-14-17)22-20(18,23-24-21)16-11-7-5-8-12-16/h5-14H,15H2,1-4H3
InChIKeyIJOUVPQTGOWDRD-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1S,4R)-1,4-diphenyl-2,3-dioxabicyclo[2.2.1]hept-5-ene
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(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane?
The IUPAC name of 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane (CID 14959257) is 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane.
What is the SMILES notation for 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane?
The canonical SMILES for 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane is CC1(C)CC(C)(C)C2(c3ccccc3)OC1(c1ccccc1)[Se][Se]2.
What is the InChIKey of 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane?
The InChIKey is IJOUVPQTGOWDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24OSe2/c1-18(2)15-19(3,4)21(17-13-9-6-10-14-17)22-20(18,23-24-21)16-11-7-5-8-12-16/h5-14H,15H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane?
2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane has a molecular weight of 450.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane is sourced from PubChem (CID 14959257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).