2-diphenylphosphoryl-2-ethyl-3-methyloxirane

C17H19O2P — CID 71337897

IUPAC2-diphenylphosphoryl-2-ethyl-3-methyloxirane
SMILESCCC1(P(=O)(c2ccccc2)c2ccccc2)OC1C
InChIInChI=1S/C17H19O2P/c1-3-17(14(2)19-17)20(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyZYGNEXRUJCDSEG-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.53
Rot. Bonds4

About 2-diphenylphosphoryl-2-ethyl-3-methyloxirane

2-diphenylphosphoryl-2-ethyl-3-methyloxirane (PubChem CID 71337897) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-diphenylphosphoryl-2-ethyl-3-methyloxirane.

Molecular Properties

Compound Name2-diphenylphosphoryl-2-ethyl-3-methyloxirane
PubChem CID71337897
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-diphenylphosphoryl-2-ethyl-3-methyloxirane
SMILESCCC1(P(=O)(c2ccccc2)c2ccccc2)OC1C
InChIInChI=1S/C17H19O2P/c1-3-17(14(2)19-17)20(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyZYGNEXRUJCDSEG-UHFFFAOYSA-N
XLogP3.53
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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-diphenylphosphoryl-2-ethyl-3-methyloxirane?
The IUPAC name of 2-diphenylphosphoryl-2-ethyl-3-methyloxirane (CID 71337897) is 2-diphenylphosphoryl-2-ethyl-3-methyloxirane.
What is the SMILES notation for 2-diphenylphosphoryl-2-ethyl-3-methyloxirane?
The canonical SMILES for 2-diphenylphosphoryl-2-ethyl-3-methyloxirane is CCC1(P(=O)(c2ccccc2)c2ccccc2)OC1C.
What is the InChIKey of 2-diphenylphosphoryl-2-ethyl-3-methyloxirane?
The InChIKey is ZYGNEXRUJCDSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2P/c1-3-17(14(2)19-17)20(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-2-ethyl-3-methyloxirane?
2-diphenylphosphoryl-2-ethyl-3-methyloxirane has a molecular weight of 286.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-2-ethyl-3-methyloxirane is sourced from PubChem (CID 71337897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).