hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium

C3H6O4P+ — CID 172704739

IUPAChydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium
SMILESCC1(O[P+](=O)O)CO1
InChIInChI=1S/C3H5O4P/c1-3(2-6-3)7-8(4)5/h2H2,1H3/p+1
InChIKeyZADDRFVVBCGXDD-UHFFFAOYSA-O
MW137.05 g/mol
LogP0.40
Rot. Bonds2

About hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium

hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium (PubChem CID 172704739) has the molecular formula C3H6O4P+ and a molecular weight of 137.05 g/mol. Its IUPAC name is hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium
PubChem CID172704739
Molecular FormulaC3H6O4P+
Molecular Weight137.05 g/mol
Exact Mass137.00
IUPAC Namehydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium
SMILESCC1(O[P+](=O)O)CO1
InChIInChI=1S/C3H5O4P/c1-3(2-6-3)7-8(4)5/h2H2,1H3/p+1
InChIKeyZADDRFVVBCGXDD-UHFFFAOYSA-O
XLogP0.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.05
LogP ≤ 50.40
H-Bond Donors ≤ 51
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

(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898
N-(2-methyloxiran-2-yl)oxypropan-2-imine
CID 89125405
2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane
CID 141395062
2,2-dimethyloxirane;methanol
CID 161373463
2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium
CID 88663341
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
2-cyclohexyloxy-2-methyloxirane
CID 89006811
(2,2,5-trimethyl-1,3-dioxan-5-yl) acetate
CID 143439186
(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate
CID 147022523
2-methyl-2-phenoxyoxirane
CID 19360932

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium?
The IUPAC name of hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium (CID 172704739) is hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium.
What is the SMILES notation for hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium?
The canonical SMILES for hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium is CC1(O[P+](=O)O)CO1.
What is the InChIKey of hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium?
The InChIKey is ZADDRFVVBCGXDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5O4P/c1-3(2-6-3)7-8(4)5/h2H2,1H3/p+1.
What are the key properties of hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium?
hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium has a molecular weight of 137.05 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium is sourced from PubChem (CID 172704739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).