1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane

C9H22O6P2 — CID 15455

IUPAC1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(CP(=O)(OCC)OCC)OCC
InChIInChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKeySTJWVOQLJPNAQL-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.48
Rot. Bonds10

About 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane

1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane (PubChem CID 15455) has the molecular formula C9H22O6P2 and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
PubChem CID15455
Molecular FormulaC9H22O6P2
Molecular Weight288.22 g/mol
Exact Mass288.09
IUPAC Name1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(CP(=O)(OCC)OCC)OCC
InChIInChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKeySTJWVOQLJPNAQL-UHFFFAOYSA-N
XLogP3.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane?
The IUPAC name of 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane (CID 15455) is 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane is CCOP(=O)(CP(=O)(OCC)OCC)OCC.
What is the InChIKey of 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane?
The InChIKey is STJWVOQLJPNAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3.
What are the key properties of 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane?
1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane has a molecular weight of 288.22 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 15455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).