diethyl phosphoroso phosphate

C4H10O5P2 — CID 175016516

IUPACdiethyl phosphoroso phosphate
SMILESCCOP(=O)(OCC)OP=O
InChIInChI=1S/C4H10O5P2/c1-3-7-11(6,8-4-2)9-10-5/h3-4H2,1-2H3
InChIKeyGBAYAWYGJQQJCF-UHFFFAOYSA-N
MW200.07 g/mol
LogP2.39
Rot. Bonds6

About diethyl phosphoroso phosphate

diethyl phosphoroso phosphate (PubChem CID 175016516) has the molecular formula C4H10O5P2 and a molecular weight of 200.07 g/mol. Its IUPAC name is diethyl phosphoroso phosphate.

Molecular Properties

Compound Namediethyl phosphoroso phosphate
PubChem CID175016516
Molecular FormulaC4H10O5P2
Molecular Weight200.07 g/mol
Exact Mass200.00
IUPAC Namediethyl phosphoroso phosphate
SMILESCCOP(=O)(OCC)OP=O
InChIInChI=1S/C4H10O5P2/c1-3-7-11(6,8-4-2)9-10-5/h3-4H2,1-2H3
InChIKeyGBAYAWYGJQQJCF-UHFFFAOYSA-N
XLogP2.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
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sulfur trioxide;triethyl phosphate
CID 86745268
diethyl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] phosphate
CID 139957080
aluminum;triethyl phosphate;phosphate
CID 174993171
diethoxyphosphoryl ethyl [hydroxy(phosphonooxy)phosphoryl] phosphate
CID 139957054
diethoxy ethyl phosphate
CID 22136775
acetic acid;triethyl phosphate
CID 161446956
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
diethyl 2-methoxyethyl phosphate
CID 547489
CID 87495286
CID 87495286
alumane;ethyl dihydrogen phosphate
CID 173113989

Frequently Asked Questions

What is the IUPAC name of diethyl phosphoroso phosphate?
The IUPAC name of diethyl phosphoroso phosphate (CID 175016516) is diethyl phosphoroso phosphate.
What is the SMILES notation for diethyl phosphoroso phosphate?
The canonical SMILES for diethyl phosphoroso phosphate is CCOP(=O)(OCC)OP=O.
What is the InChIKey of diethyl phosphoroso phosphate?
The InChIKey is GBAYAWYGJQQJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5P2/c1-3-7-11(6,8-4-2)9-10-5/h3-4H2,1-2H3.
What are the key properties of diethyl phosphoroso phosphate?
diethyl phosphoroso phosphate has a molecular weight of 200.07 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl phosphoroso phosphate is sourced from PubChem (CID 175016516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).