diethoxy methyl phosphate

C5H13O6P — CID 154199840

IUPACdiethoxy methyl phosphate
SMILESCCOOP(=O)(OC)OOCC
InChIInChI=1S/C5H13O6P/c1-4-8-10-12(6,7-3)11-9-5-2/h4-5H2,1-3H3
InChIKeyCXJHJPBWDOZIMD-UHFFFAOYSA-N
MW200.13 g/mol
LogP1.68
Rot. Bonds7

About diethoxy methyl phosphate

diethoxy methyl phosphate (PubChem CID 154199840) has the molecular formula C5H13O6P and a molecular weight of 200.13 g/mol. Its IUPAC name is diethoxy methyl phosphate.

Molecular Properties

Compound Namediethoxy methyl phosphate
PubChem CID154199840
Molecular FormulaC5H13O6P
Molecular Weight200.13 g/mol
Exact Mass200.04
IUPAC Namediethoxy methyl phosphate
SMILESCCOOP(=O)(OC)OOCC
InChIInChI=1S/C5H13O6P/c1-4-8-10-12(6,7-3)11-9-5-2/h4-5H2,1-3H3
InChIKeyCXJHJPBWDOZIMD-UHFFFAOYSA-N
XLogP1.68
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 51.68
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

diethoxy ethyl phosphate
CID 22136775
bis(ethylperoxy)phosphoryl cyanate
CID 172555592
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
[di(propan-2-yl)amino] diethoxy phosphate
CID 141077385
ethanol;ethoxy dihydrogen phosphate
CID 87186202
methylsulfinylmethane;trimethyl phosphate
CID 161484934
ethoxy ethyl hexan-3-yloxy phosphate
CID 155756142
potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
ethyl 3-bis(ethylperoxy)phosphorylpropanoate
CID 114986799
tributoxy phosphate
CID 18706120
3-ethylpentan-3-yl dimethyl phosphate
CID 57180784
2-[2-(2-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914

Frequently Asked Questions

What is the IUPAC name of diethoxy methyl phosphate?
The IUPAC name of diethoxy methyl phosphate (CID 154199840) is diethoxy methyl phosphate.
What is the SMILES notation for diethoxy methyl phosphate?
The canonical SMILES for diethoxy methyl phosphate is CCOOP(=O)(OC)OOCC.
What is the InChIKey of diethoxy methyl phosphate?
The InChIKey is CXJHJPBWDOZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O6P/c1-4-8-10-12(6,7-3)11-9-5-2/h4-5H2,1-3H3.
What are the key properties of diethoxy methyl phosphate?
diethoxy methyl phosphate has a molecular weight of 200.13 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy methyl phosphate is sourced from PubChem (CID 154199840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).