2-(dimethoxyphosphorylmethoxy)ethanol

C5H13O5P — CID 10241477

IUPAC2-(dimethoxyphosphorylmethoxy)ethanol
SMILESCOP(=O)(COCCO)OC
InChIInChI=1S/C5H13O5P/c1-8-11(7,9-2)5-10-4-3-6/h6H,3-5H2,1-2H3
InChIKeyIISPWWUNKWRYPU-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.44
Rot. Bonds6

About 2-(dimethoxyphosphorylmethoxy)ethanol

2-(dimethoxyphosphorylmethoxy)ethanol (PubChem CID 10241477) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is 2-(dimethoxyphosphorylmethoxy)ethanol.

Molecular Properties

Compound Name2-(dimethoxyphosphorylmethoxy)ethanol
PubChem CID10241477
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name2-(dimethoxyphosphorylmethoxy)ethanol
SMILESCOP(=O)(COCCO)OC
InChIInChI=1S/C5H13O5P/c1-8-11(7,9-2)5-10-4-3-6/h6H,3-5H2,1-2H3
InChIKeyIISPWWUNKWRYPU-UHFFFAOYSA-N
XLogP0.44
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.44
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 2-(dimethoxyphosphorylmethoxy)ethanol?
The IUPAC name of 2-(dimethoxyphosphorylmethoxy)ethanol (CID 10241477) is 2-(dimethoxyphosphorylmethoxy)ethanol.
What is the SMILES notation for 2-(dimethoxyphosphorylmethoxy)ethanol?
The canonical SMILES for 2-(dimethoxyphosphorylmethoxy)ethanol is COP(=O)(COCCO)OC.
What is the InChIKey of 2-(dimethoxyphosphorylmethoxy)ethanol?
The InChIKey is IISPWWUNKWRYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5P/c1-8-11(7,9-2)5-10-4-3-6/h6H,3-5H2,1-2H3.
What are the key properties of 2-(dimethoxyphosphorylmethoxy)ethanol?
2-(dimethoxyphosphorylmethoxy)ethanol has a molecular weight of 184.13 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxyphosphorylmethoxy)ethanol is sourced from PubChem (CID 10241477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).