[3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane

C11H19N2OP — CID 143815263

IUPAC[3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane
SMILESCCC1OC(n2cncc2P)C(C)C1C
InChIInChI=1S/C11H19N2OP/c1-4-9-7(2)8(3)11(14-9)13-6-12-5-10(13)15/h5-9,11H,4,15H2,1-3H3
InChIKeyLLFUCXHHCJJYFX-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.96
Rot. Bonds2

About [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane

[3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane (PubChem CID 143815263) has the molecular formula C11H19N2OP and a molecular weight of 226.26 g/mol. Its IUPAC name is [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane.

Molecular Properties

Compound Name[3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane
PubChem CID143815263
Molecular FormulaC11H19N2OP
Molecular Weight226.26 g/mol
Exact Mass226.12
IUPAC Name[3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane
SMILESCCC1OC(n2cncc2P)C(C)C1C
InChIInChI=1S/C11H19N2OP/c1-4-9-7(2)8(3)11(14-9)13-6-12-5-10(13)15/h5-9,11H,4,15H2,1-3H3
InChIKeyLLFUCXHHCJJYFX-UHFFFAOYSA-N
XLogP1.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane?
The IUPAC name of [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane (CID 143815263) is [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane.
What is the SMILES notation for [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane?
The canonical SMILES for [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane is CCC1OC(n2cncc2P)C(C)C1C.
What is the InChIKey of [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane?
The InChIKey is LLFUCXHHCJJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2OP/c1-4-9-7(2)8(3)11(14-9)13-6-12-5-10(13)15/h5-9,11H,4,15H2,1-3H3.
What are the key properties of [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane?
[3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane has a molecular weight of 226.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethyl-3,4-dimethyloxolan-2-yl)imidazol-4-yl]phosphane is sourced from PubChem (CID 143815263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).