hydroxy-(2-methoxyethoxy)-oxophosphanium

C3H8O4P+ — CID 6383923

IUPAChydroxy-(2-methoxyethoxy)-oxophosphanium
SMILESCOCCO[P+](=O)O
InChIInChI=1S/C3H7O4P/c1-6-2-3-7-8(4)5/h2-3H2,1H3/p+1
InChIKeyUXDDDHCAMUJXLC-UHFFFAOYSA-O
MW139.07 g/mol
LogP0.30
Rot. Bonds4

About hydroxy-(2-methoxyethoxy)-oxophosphanium

hydroxy-(2-methoxyethoxy)-oxophosphanium (PubChem CID 6383923) has the molecular formula C3H8O4P+ and a molecular weight of 139.07 g/mol. Its IUPAC name is hydroxy-(2-methoxyethoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(2-methoxyethoxy)-oxophosphanium
PubChem CID6383923
Molecular FormulaC3H8O4P+
Molecular Weight139.07 g/mol
Exact Mass139.02
IUPAC Namehydroxy-(2-methoxyethoxy)-oxophosphanium
SMILESCOCCO[P+](=O)O
InChIInChI=1S/C3H7O4P/c1-6-2-3-7-8(4)5/h2-3H2,1H3/p+1
InChIKeyUXDDDHCAMUJXLC-UHFFFAOYSA-O
XLogP0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methoxyethoxy)-oxophosphanium?
The IUPAC name of hydroxy-(2-methoxyethoxy)-oxophosphanium (CID 6383923) is hydroxy-(2-methoxyethoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(2-methoxyethoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(2-methoxyethoxy)-oxophosphanium is COCCO[P+](=O)O.
What is the InChIKey of hydroxy-(2-methoxyethoxy)-oxophosphanium?
The InChIKey is UXDDDHCAMUJXLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O4P/c1-6-2-3-7-8(4)5/h2-3H2,1H3/p+1.
What are the key properties of hydroxy-(2-methoxyethoxy)-oxophosphanium?
hydroxy-(2-methoxyethoxy)-oxophosphanium has a molecular weight of 139.07 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methoxyethoxy)-oxophosphanium is sourced from PubChem (CID 6383923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).