1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane

C7H17O5P — CID 59925689

IUPAC1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane
SMILES[2H]OCCOCCOP(C)(=O)OCC
InChIInChI=1S/C7H17O5P/c1-3-11-13(2,9)12-7-6-10-5-4-8/h8H,3-7H2,1-2H3/i8D
InChIKeyGJSCYHQZHVGGNZ-BNEYPBHNSA-N
MW213.19 g/mol
LogP0.87
Rot. Bonds9

About 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane

1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane (PubChem CID 59925689) has the molecular formula C7H17O5P and a molecular weight of 213.19 g/mol. Its IUPAC name is 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane.

Molecular Properties

Compound Name1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane
PubChem CID59925689
Molecular FormulaC7H17O5P
Molecular Weight213.19 g/mol
Exact Mass213.09
IUPAC Name1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane
SMILES[2H]OCCOCCOP(C)(=O)OCC
InChIInChI=1S/C7H17O5P/c1-3-11-13(2,9)12-7-6-10-5-4-8/h8H,3-7H2,1-2H3/i8D
InChIKeyGJSCYHQZHVGGNZ-BNEYPBHNSA-N
XLogP0.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane?
The IUPAC name of 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane (CID 59925689) is 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane.
What is the SMILES notation for 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane?
The canonical SMILES for 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane is [2H]OCCOCCOP(C)(=O)OCC.
What is the InChIKey of 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane?
The InChIKey is GJSCYHQZHVGGNZ-BNEYPBHNSA-N. The full InChI is InChI=1S/C7H17O5P/c1-3-11-13(2,9)12-7-6-10-5-4-8/h8H,3-7H2,1-2H3/i8D.
What are the key properties of 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane?
1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane has a molecular weight of 213.19 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriooxy-2-[2-[ethoxy(methyl)phosphoryl]oxyethoxy]ethane is sourced from PubChem (CID 59925689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).