ethenyl diethyl phosphate

C6H13O4P — CID 573017

IUPACethenyl diethyl phosphate
SMILESC=COP(=O)(OCC)OCC
InChIInChI=1S/C6H13O4P/c1-4-8-11(7,9-5-2)10-6-3/h4H,1,5-6H2,2-3H3
InChIKeyULUJSLFWDQSXRS-UHFFFAOYSA-N
MW180.14 g/mol
LogP2.33
Rot. Bonds6

About ethenyl diethyl phosphate

ethenyl diethyl phosphate (PubChem CID 573017) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is ethenyl diethyl phosphate.

Molecular Properties

Compound Nameethenyl diethyl phosphate
PubChem CID573017
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Nameethenyl diethyl phosphate
SMILESC=COP(=O)(OCC)OCC
InChIInChI=1S/C6H13O4P/c1-4-8-11(7,9-5-2)10-6-3/h4H,1,5-6H2,2-3H3
InChIKeyULUJSLFWDQSXRS-UHFFFAOYSA-N
XLogP2.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Triethyl Phosphate
CID 6535
Diethyl vinylphosphonate
CID 69629
Diethyl phosphoric acid
CID 5166299
Ethyl dimethyl phosphate
CID 82641
Diethyl methyl phosphate
CID 120420
Ethyl ethenylphosphonochloridate
CID 12673186
Tris[(~13~C_2_)ethyl] phosphate
CID 71309706
Triethyl-D15-phosphate
CID 71309788
Phosphinic acid, diethenyl-, ethyl ester
CID 141574
Dimethyl vinyl phosphate
CID 533982
Ethyl ethenyl(methyl)phosphinate
CID 13568491
Ethenyl ethyl hydrogen phosphate
CID 445816

Frequently Asked Questions

What is the IUPAC name of ethenyl diethyl phosphate?
The IUPAC name of ethenyl diethyl phosphate (CID 573017) is ethenyl diethyl phosphate.
What is the SMILES notation for ethenyl diethyl phosphate?
The canonical SMILES for ethenyl diethyl phosphate is C=COP(=O)(OCC)OCC.
What is the InChIKey of ethenyl diethyl phosphate?
The InChIKey is ULUJSLFWDQSXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-4-8-11(7,9-5-2)10-6-3/h4H,1,5-6H2,2-3H3.
What are the key properties of ethenyl diethyl phosphate?
ethenyl diethyl phosphate has a molecular weight of 180.14 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl diethyl phosphate is sourced from PubChem (CID 573017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).