ethanol;ethoxy dihydrogen phosphate

C4H13O6P — CID 87186202

IUPACethanol;ethoxy dihydrogen phosphate
SMILESCCO.CCOOP(=O)(O)O
InChIInChI=1S/C2H7O5P.C2H6O/c1-2-6-7-8(3,4)5;1-2-3/h2H2,1H3,(H2,3,4,5);3H,2H2,1H3
InChIKeyWEPZHHOFLBQZRI-UHFFFAOYSA-N
MW188.12 g/mol
LogP0.05
Rot. Bonds3

About ethanol;ethoxy dihydrogen phosphate

ethanol;ethoxy dihydrogen phosphate (PubChem CID 87186202) has the molecular formula C4H13O6P and a molecular weight of 188.12 g/mol. Its IUPAC name is ethanol;ethoxy dihydrogen phosphate.

Molecular Properties

Compound Nameethanol;ethoxy dihydrogen phosphate
PubChem CID87186202
Molecular FormulaC4H13O6P
Molecular Weight188.12 g/mol
Exact Mass188.04
IUPAC Nameethanol;ethoxy dihydrogen phosphate
SMILESCCO.CCOOP(=O)(O)O
InChIInChI=1S/C2H7O5P.C2H6O/c1-2-6-7-8(3,4)5;1-2-3/h2H2,1H3,(H2,3,4,5);3H,2H2,1H3
InChIKeyWEPZHHOFLBQZRI-UHFFFAOYSA-N
XLogP0.05
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 dihydrogen phosphate;methyl prop-2-enoate
CID 174680488
CID 175712866
CID 175712866
diethoxy ethyl phosphate
CID 22136775
diethoxy methyl phosphate
CID 154199840
16-butan-2-yloxyhexadecoxy dihydrogen phosphate
CID 175759326
bis(ethylperoxy)phosphoryl cyanate
CID 172555592
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
alumane;ethyl dihydrogen phosphate
CID 173113989
CID 87495286
CID 87495286
potassium;dihydrogen phosphate;ethanol
CID 160928957
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794

Frequently Asked Questions

What is the IUPAC name of ethanol;ethoxy dihydrogen phosphate?
The IUPAC name of ethanol;ethoxy dihydrogen phosphate (CID 87186202) is ethanol;ethoxy dihydrogen phosphate.
What is the SMILES notation for ethanol;ethoxy dihydrogen phosphate?
The canonical SMILES for ethanol;ethoxy dihydrogen phosphate is CCO.CCOOP(=O)(O)O.
What is the InChIKey of ethanol;ethoxy dihydrogen phosphate?
The InChIKey is WEPZHHOFLBQZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O5P.C2H6O/c1-2-6-7-8(3,4)5;1-2-3/h2H2,1H3,(H2,3,4,5);3H,2H2,1H3.
What are the key properties of ethanol;ethoxy dihydrogen phosphate?
ethanol;ethoxy dihydrogen phosphate has a molecular weight of 188.12 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethoxy dihydrogen phosphate is sourced from PubChem (CID 87186202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).