5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane

C14H14O2Se — CID 101219075

IUPAC5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane
SMILESC=CC12CC3OC1C(O2)C3[Se]c1ccccc1
InChIInChI=1S/C14H14O2Se/c1-2-14-8-10-12(11(16-14)13(14)15-10)17-9-6-4-3-5-7-9/h2-7,10-13H,1,8H2
InChIKeyRMDYVDMGJSVMJK-UHFFFAOYSA-N
MW293.22 g/mol
LogP1.30
Rot. Bonds3

About 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane

5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane (PubChem CID 101219075) has the molecular formula C14H14O2Se and a molecular weight of 293.22 g/mol. Its IUPAC name is 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane.

Molecular Properties

Compound Name5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane
PubChem CID101219075
Molecular FormulaC14H14O2Se
Molecular Weight293.22 g/mol
Exact Mass294.02
IUPAC Name5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane
SMILESC=CC12CC3OC1C(O2)C3[Se]c1ccccc1
InChIInChI=1S/C14H14O2Se/c1-2-14-8-10-12(11(16-14)13(14)15-10)17-9-6-4-3-5-7-9/h2-7,10-13H,1,8H2
InChIKeyRMDYVDMGJSVMJK-UHFFFAOYSA-N
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane?
The IUPAC name of 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane (CID 101219075) is 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane.
What is the SMILES notation for 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane?
The canonical SMILES for 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane is C=CC12CC3OC1C(O2)C3[Se]c1ccccc1.
What is the InChIKey of 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane?
The InChIKey is RMDYVDMGJSVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2Se/c1-2-14-8-10-12(11(16-14)13(14)15-10)17-9-6-4-3-5-7-9/h2-7,10-13H,1,8H2.
What are the key properties of 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane?
5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane has a molecular weight of 293.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-phenylselanyl-4,7-dioxatricyclo[3.2.1.03,6]octane is sourced from PubChem (CID 101219075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).