2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane

C12H17O3P — CID 162075720

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
SMILESC(OCC1CO1)C1CO1.Pc1ccccc1
InChIInChI=1S/C6H10O3.C6H7P/c1(5-3-8-5)7-2-6-4-9-6;7-6-4-2-1-3-5-6/h5-6H,1-4H2;1-5H,7H2
InChIKeyZBRIGXIVQAVZRC-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.99
Rot. Bonds4

About 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane

2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane (PubChem CID 162075720) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
PubChem CID162075720
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
SMILESC(OCC1CO1)C1CO1.Pc1ccccc1
InChIInChI=1S/C6H10O3.C6H7P/c1(5-3-8-5)7-2-6-4-9-6;7-6-4-2-1-3-5-6/h5-6H,1-4H2;1-5H,7H2
InChIKeyZBRIGXIVQAVZRC-UHFFFAOYSA-N
XLogP0.99
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88618664
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
CID 87233413
nitrobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88773027
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
CID 86652086
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
4-(oxiran-2-ylmethoxymethyl)-2-phenyl-1,3-dioxane
CID 163610147

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane (CID 162075720) is 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane is C(OCC1CO1)C1CO1.Pc1ccccc1.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane?
The InChIKey is ZBRIGXIVQAVZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H7P/c1(5-3-8-5)7-2-6-4-9-6;7-6-4-2-1-3-5-6/h5-6H,1-4H2;1-5H,7H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane?
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane has a molecular weight of 240.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane is sourced from PubChem (CID 162075720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).