3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene

C13H14Se2 — CID 15646658

IUPAC3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene
SMILESC[Se]C1(c2ccccc2)[Se]C2C=CC1C2
InChIInChI=1S/C13H14Se2/c1-14-13(10-5-3-2-4-6-10)11-7-8-12(9-11)15-13/h2-8,11-12H,9H2,1H3
InChIKeyPRVUERJOZBQBSP-UHFFFAOYSA-N
MW328.18 g/mol
LogP2.67
Rot. Bonds2

About 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene

3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene (PubChem CID 15646658) has the molecular formula C13H14Se2 and a molecular weight of 328.18 g/mol. Its IUPAC name is 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene
PubChem CID15646658
Molecular FormulaC13H14Se2
Molecular Weight328.18 g/mol
Exact Mass329.94
IUPAC Name3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene
SMILESC[Se]C1(c2ccccc2)[Se]C2C=CC1C2
InChIInChI=1S/C13H14Se2/c1-14-13(10-5-3-2-4-6-10)11-7-8-12(9-11)15-13/h2-8,11-12H,9H2,1H3
InChIKeyPRVUERJOZBQBSP-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene (CID 15646658) is 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene is C[Se]C1(c2ccccc2)[Se]C2C=CC1C2.
What is the InChIKey of 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene?
The InChIKey is PRVUERJOZBQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Se2/c1-14-13(10-5-3-2-4-6-10)11-7-8-12(9-11)15-13/h2-8,11-12H,9H2,1H3.
What are the key properties of 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene?
3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene has a molecular weight of 328.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 15646658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).