1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane

C6H15O4P — CID 547072

IUPAC1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane
SMILESCCOP(C)(=O)OCCOC
InChIInChI=1S/C6H15O4P/c1-4-9-11(3,7)10-6-5-8-2/h4-6H2,1-3H3
InChIKeyZDBGHXSLNYFALX-UHFFFAOYSA-N
MW182.16 g/mol
LogP1.51
Rot. Bonds6

About 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane

1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane (PubChem CID 547072) has the molecular formula C6H15O4P and a molecular weight of 182.16 g/mol. Its IUPAC name is 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane.

Molecular Properties

Compound Name1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane
PubChem CID547072
Molecular FormulaC6H15O4P
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane
SMILESCCOP(C)(=O)OCCOC
InChIInChI=1S/C6H15O4P/c1-4-9-11(3,7)10-6-5-8-2/h4-6H2,1-3H3
InChIKeyZDBGHXSLNYFALX-UHFFFAOYSA-N
XLogP1.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane?
The IUPAC name of 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane (CID 547072) is 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane.
What is the SMILES notation for 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane?
The canonical SMILES for 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane is CCOP(C)(=O)OCCOC.
What is the InChIKey of 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane?
The InChIKey is ZDBGHXSLNYFALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P/c1-4-9-11(3,7)10-6-5-8-2/h4-6H2,1-3H3.
What are the key properties of 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane?
1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane has a molecular weight of 182.16 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methyl)phosphoryl]oxy-2-methoxyethane is sourced from PubChem (CID 547072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).