2-methyl-2-(phenylselanylmethyl)oxirane

C10H12OSe — CID 12911171

IUPAC2-methyl-2-(phenylselanylmethyl)oxirane
SMILESCC1(C[Se]c2ccccc2)CO1
InChIInChI=1S/C10H12OSe/c1-10(7-11-10)8-12-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyDFSMGSYJVLBQKA-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.22
Rot. Bonds3

About 2-methyl-2-(phenylselanylmethyl)oxirane

2-methyl-2-(phenylselanylmethyl)oxirane (PubChem CID 12911171) has the molecular formula C10H12OSe and a molecular weight of 227.16 g/mol. Its IUPAC name is 2-methyl-2-(phenylselanylmethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(phenylselanylmethyl)oxirane
PubChem CID12911171
Molecular FormulaC10H12OSe
Molecular Weight227.16 g/mol
Exact Mass228.01
IUPAC Name2-methyl-2-(phenylselanylmethyl)oxirane
SMILESCC1(C[Se]c2ccccc2)CO1
InChIInChI=1S/C10H12OSe/c1-10(7-11-10)8-12-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyDFSMGSYJVLBQKA-UHFFFAOYSA-N
XLogP1.22
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(phenylselanylmethyl)oxirane?
The IUPAC name of 2-methyl-2-(phenylselanylmethyl)oxirane (CID 12911171) is 2-methyl-2-(phenylselanylmethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(phenylselanylmethyl)oxirane?
The canonical SMILES for 2-methyl-2-(phenylselanylmethyl)oxirane is CC1(C[Se]c2ccccc2)CO1.
What is the InChIKey of 2-methyl-2-(phenylselanylmethyl)oxirane?
The InChIKey is DFSMGSYJVLBQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OSe/c1-10(7-11-10)8-12-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-methyl-2-(phenylselanylmethyl)oxirane?
2-methyl-2-(phenylselanylmethyl)oxirane has a molecular weight of 227.16 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(phenylselanylmethyl)oxirane is sourced from PubChem (CID 12911171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).