2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane

C14H16OSe — CID 12630451

IUPAC2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane
SMILESc1ccc([Se]C2C3CC4COC2C4C3)cc1
InChIInChI=1S/C14H16OSe/c1-2-4-11(5-3-1)16-14-9-6-10-8-15-13(14)12(10)7-9/h1-5,9-10,12-14H,6-8H2
InChIKeyVOUBSNZEQAMGJM-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.86
Rot. Bonds2

About 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane

2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane (PubChem CID 12630451) has the molecular formula C14H16OSe and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane
PubChem CID12630451
Molecular FormulaC14H16OSe
Molecular Weight279.24 g/mol
Exact Mass280.04
IUPAC Name2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane
SMILESc1ccc([Se]C2C3CC4COC2C4C3)cc1
InChIInChI=1S/C14H16OSe/c1-2-4-11(5-3-1)16-14-9-6-10-8-15-13(14)12(10)7-9/h1-5,9-10,12-14H,6-8H2
InChIKeyVOUBSNZEQAMGJM-UHFFFAOYSA-N
XLogP1.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane (CID 12630451) is 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane is c1ccc([Se]C2C3CC4COC2C4C3)cc1.
What is the InChIKey of 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane?
The InChIKey is VOUBSNZEQAMGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OSe/c1-2-4-11(5-3-1)16-14-9-6-10-8-15-13(14)12(10)7-9/h1-5,9-10,12-14H,6-8H2.
What are the key properties of 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane?
2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane has a molecular weight of 279.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanyl-4-oxatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 12630451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).