hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium

C5H10O4P+ — CID 88663341

IUPAChydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium
SMILESCC(C)(O[P+](=O)O)C1CO1
InChIInChI=1S/C5H9O4P/c1-5(2,4-3-8-4)9-10(6)7/h4H,3H2,1-2H3/p+1
InChIKeyJZPYMZQAZDXCOM-UHFFFAOYSA-O
MW165.10 g/mol
LogP0.83
Rot. Bonds3

About hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium

hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium (PubChem CID 88663341) has the molecular formula C5H10O4P+ and a molecular weight of 165.10 g/mol. Its IUPAC name is hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium
PubChem CID88663341
Molecular FormulaC5H10O4P+
Molecular Weight165.10 g/mol
Exact Mass165.03
IUPAC Namehydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium
SMILESCC(C)(O[P+](=O)O)C1CO1
InChIInChI=1S/C5H9O4P/c1-5(2,4-3-8-4)9-10(6)7/h4H,3H2,1-2H3/p+1
InChIKeyJZPYMZQAZDXCOM-UHFFFAOYSA-O
XLogP0.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 50.83
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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Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium?
The IUPAC name of hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium (CID 88663341) is hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium?
The canonical SMILES for hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium is CC(C)(O[P+](=O)O)C1CO1.
What is the InChIKey of hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium?
The InChIKey is JZPYMZQAZDXCOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O4P/c1-5(2,4-3-8-4)9-10(6)7/h4H,3H2,1-2H3/p+1.
What are the key properties of hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium?
hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium has a molecular weight of 165.10 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium is sourced from PubChem (CID 88663341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).