2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol

C22H28O2Se2 — CID 11059918

IUPAC2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol
SMILESCC1(C)OC(C)(C(CO)[Se]c2ccccc2)CCC1[Se]c1ccccc1
InChIInChI=1S/C22H28O2Se2/c1-21(2)19(25-17-10-6-4-7-11-17)14-15-22(3,24-21)20(16-23)26-18-12-8-5-9-13-18/h4-13,19-20,23H,14-16H2,1-3H3
InChIKeyAEUWYFGPBFROJC-UHFFFAOYSA-N
MW482.38 g/mol
LogP2.96
Rot. Bonds6

About 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol

2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol (PubChem CID 11059918) has the molecular formula C22H28O2Se2 and a molecular weight of 482.38 g/mol. Its IUPAC name is 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol.

Molecular Properties

Compound Name2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol
PubChem CID11059918
Molecular FormulaC22H28O2Se2
Molecular Weight482.38 g/mol
Exact Mass484.04
IUPAC Name2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol
SMILESCC1(C)OC(C)(C(CO)[Se]c2ccccc2)CCC1[Se]c1ccccc1
InChIInChI=1S/C22H28O2Se2/c1-21(2)19(25-17-10-6-4-7-11-17)14-15-22(3,24-21)20(16-23)26-18-12-8-5-9-13-18/h4-13,19-20,23H,14-16H2,1-3H3
InChIKeyAEUWYFGPBFROJC-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
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 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol?
The IUPAC name of 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol (CID 11059918) is 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol.
What is the SMILES notation for 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol?
The canonical SMILES for 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol is CC1(C)OC(C)(C(CO)[Se]c2ccccc2)CCC1[Se]c1ccccc1.
What is the InChIKey of 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol?
The InChIKey is AEUWYFGPBFROJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2Se2/c1-21(2)19(25-17-10-6-4-7-11-17)14-15-22(3,24-21)20(16-23)26-18-12-8-5-9-13-18/h4-13,19-20,23H,14-16H2,1-3H3.
What are the key properties of 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol?
2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol has a molecular weight of 482.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol is sourced from PubChem (CID 11059918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).