2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane

C16H16O3Se — CID 86065236

IUPAC2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane
SMILESO=[Se](CC1(c2ccccc2)OCCO1)c1ccccc1
InChIInChI=1S/C16H16O3Se/c17-20(15-9-5-2-6-10-15)13-16(18-11-12-19-16)14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyZATBRJJQAFSZOT-UHFFFAOYSA-N
MW335.26 g/mol
LogP2.22
Rot. Bonds4

About 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane

2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane (PubChem CID 86065236) has the molecular formula C16H16O3Se and a molecular weight of 335.26 g/mol. Its IUPAC name is 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane
PubChem CID86065236
Molecular FormulaC16H16O3Se
Molecular Weight335.26 g/mol
Exact Mass336.03
IUPAC Name2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane
SMILESO=[Se](CC1(c2ccccc2)OCCO1)c1ccccc1
InChIInChI=1S/C16H16O3Se/c17-20(15-9-5-2-6-10-15)13-16(18-11-12-19-16)14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyZATBRJJQAFSZOT-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane?
The IUPAC name of 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane (CID 86065236) is 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane.
What is the SMILES notation for 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane?
The canonical SMILES for 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane is O=[Se](CC1(c2ccccc2)OCCO1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane?
The InChIKey is ZATBRJJQAFSZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3Se/c17-20(15-9-5-2-6-10-15)13-16(18-11-12-19-16)14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane?
2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane has a molecular weight of 335.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane is sourced from PubChem (CID 86065236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).