5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]

C16H16O2Se — CID 102308031

IUPAC5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]
SMILESCc1ccc2c(c1)CO[Se]21OCc2cc(C)ccc21
InChIInChI=1S/C16H16O2Se/c1-11-3-5-15-13(7-11)9-17-19(15)16-6-4-12(2)8-14(16)10-18-19/h3-8H,9-10H2,1-2H3
InChIKeyGINKASYTKFIPGB-UHFFFAOYSA-N
MW319.26 g/mol
LogP1.92
Rot. Bonds

About 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]

5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] (PubChem CID 102308031) has the molecular formula C16H16O2Se and a molecular weight of 319.26 g/mol. Its IUPAC name is 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole].

Molecular Properties

Compound Name5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]
PubChem CID102308031
Molecular FormulaC16H16O2Se
Molecular Weight319.26 g/mol
Exact Mass320.03
IUPAC Name5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]
SMILESCc1ccc2c(c1)CO[Se]21OCc2cc(C)ccc21
InChIInChI=1S/C16H16O2Se/c1-11-3-5-15-13(7-11)9-17-19(15)16-6-4-12(2)8-14(16)10-18-19/h3-8H,9-10H2,1-2H3
InChIKeyGINKASYTKFIPGB-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]?
The IUPAC name of 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] (CID 102308031) is 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole].
What is the SMILES notation for 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]?
The canonical SMILES for 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] is Cc1ccc2c(c1)CO[Se]21OCc2cc(C)ccc21.
What is the InChIKey of 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]?
The InChIKey is GINKASYTKFIPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2Se/c1-11-3-5-15-13(7-11)9-17-19(15)16-6-4-12(2)8-14(16)10-18-19/h3-8H,9-10H2,1-2H3.
What are the key properties of 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]?
5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] has a molecular weight of 319.26 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole] is sourced from PubChem (CID 102308031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).