1-(diethoxyphosphorylmethoxy)ethane

C7H17O4P — CID 13128691

IUPAC1-(diethoxyphosphorylmethoxy)ethane
SMILESCCOCP(=O)(OCC)OCC
InChIInChI=1S/C7H17O4P/c1-4-9-7-12(8,10-5-2)11-6-3/h4-7H2,1-3H3
InChIKeyPELDURRTQRGRMV-UHFFFAOYSA-N
MW196.18 g/mol
LogP2.25
Rot. Bonds7

About 1-(diethoxyphosphorylmethoxy)ethane

1-(diethoxyphosphorylmethoxy)ethane (PubChem CID 13128691) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethoxy)ethane.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethoxy)ethane
PubChem CID13128691
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name1-(diethoxyphosphorylmethoxy)ethane
SMILESCCOCP(=O)(OCC)OCC
InChIInChI=1S/C7H17O4P/c1-4-9-7-12(8,10-5-2)11-6-3/h4-7H2,1-3H3
InChIKeyPELDURRTQRGRMV-UHFFFAOYSA-N
XLogP2.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethoxy)ethane?
The IUPAC name of 1-(diethoxyphosphorylmethoxy)ethane (CID 13128691) is 1-(diethoxyphosphorylmethoxy)ethane.
What is the SMILES notation for 1-(diethoxyphosphorylmethoxy)ethane?
The canonical SMILES for 1-(diethoxyphosphorylmethoxy)ethane is CCOCP(=O)(OCC)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethoxy)ethane?
The InChIKey is PELDURRTQRGRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-4-9-7-12(8,10-5-2)11-6-3/h4-7H2,1-3H3.
What are the key properties of 1-(diethoxyphosphorylmethoxy)ethane?
1-(diethoxyphosphorylmethoxy)ethane has a molecular weight of 196.18 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethoxy)ethane is sourced from PubChem (CID 13128691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).