diethoxy ethyl phosphate

C6H15O6P — CID 22136775

IUPACdiethoxy ethyl phosphate
SMILESCCOOP(=O)(OCC)OOCC
InChIInChI=1S/C6H15O6P/c1-4-8-11-13(7,10-6-3)12-9-5-2/h4-6H2,1-3H3
InChIKeyXGORGICVWLWHLI-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.07
Rot. Bonds8

About diethoxy ethyl phosphate

diethoxy ethyl phosphate (PubChem CID 22136775) has the molecular formula C6H15O6P and a molecular weight of 214.15 g/mol. Its IUPAC name is diethoxy ethyl phosphate.

Molecular Properties

Compound Namediethoxy ethyl phosphate
PubChem CID22136775
Molecular FormulaC6H15O6P
Molecular Weight214.15 g/mol
Exact Mass214.06
IUPAC Namediethoxy ethyl phosphate
SMILESCCOOP(=O)(OCC)OOCC
InChIInChI=1S/C6H15O6P/c1-4-8-11-13(7,10-6-3)12-9-5-2/h4-6H2,1-3H3
InChIKeyXGORGICVWLWHLI-UHFFFAOYSA-N
XLogP2.07
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy ethyl hexan-3-yloxy phosphate
CID 155756142
diethoxy methyl phosphate
CID 154199840
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
sulfur trioxide;triethyl phosphate
CID 86745268
bis(ethylperoxy)phosphoryl cyanate
CID 172555592
aluminum;triethyl phosphate;phosphate
CID 174993171
2-ethoxyethyl diethyl phosphate
CID 3052884
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447
[di(propan-2-yl)amino] diethoxy phosphate
CID 141077385
diaminophosphoryloxyethane
CID 12620494
CID 131882906
CID 131882906

Frequently Asked Questions

What is the IUPAC name of diethoxy ethyl phosphate?
The IUPAC name of diethoxy ethyl phosphate (CID 22136775) is diethoxy ethyl phosphate.
What is the SMILES notation for diethoxy ethyl phosphate?
The canonical SMILES for diethoxy ethyl phosphate is CCOOP(=O)(OCC)OOCC.
What is the InChIKey of diethoxy ethyl phosphate?
The InChIKey is XGORGICVWLWHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O6P/c1-4-8-11-13(7,10-6-3)12-9-5-2/h4-6H2,1-3H3.
What are the key properties of diethoxy ethyl phosphate?
diethoxy ethyl phosphate has a molecular weight of 214.15 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy ethyl phosphate is sourced from PubChem (CID 22136775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).