ethenyl dimethyl phosphate

C4H9O4P — CID 533982

IUPACethenyl dimethyl phosphate
SMILESC=COP(=O)(OC)OC
InChIInChI=1S/C4H9O4P/c1-4-8-9(5,6-2)7-3/h4H,1H2,2-3H3
InChIKeyFXBLJWDJXBQLEL-UHFFFAOYSA-N
MW152.09 g/mol
LogP1.55
Rot. Bonds4

About ethenyl dimethyl phosphate

ethenyl dimethyl phosphate (PubChem CID 533982) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is ethenyl dimethyl phosphate.

Molecular Properties

Compound Nameethenyl dimethyl phosphate
PubChem CID533982
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Nameethenyl dimethyl phosphate
SMILESC=COP(=O)(OC)OC
InChIInChI=1S/C4H9O4P/c1-4-8-9(5,6-2)7-3/h4H,1H2,2-3H3
InChIKeyFXBLJWDJXBQLEL-UHFFFAOYSA-N
XLogP1.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 51.55
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
Diethyl vinyl phosphate
CID 573017
Tris[(~13~C_2_)ethyl] phosphate
CID 71309706
Triethyl-D15-phosphate
CID 71309788
Phosphinic acid, diethenyl-, ethyl ester
CID 141574
Ethyl ethenyl(methyl)phosphinate
CID 13568491
Ethenyl ethyl hydrogen phosphate
CID 445816

Frequently Asked Questions

What is the IUPAC name of ethenyl dimethyl phosphate?
The IUPAC name of ethenyl dimethyl phosphate (CID 533982) is ethenyl dimethyl phosphate.
What is the SMILES notation for ethenyl dimethyl phosphate?
The canonical SMILES for ethenyl dimethyl phosphate is C=COP(=O)(OC)OC.
What is the InChIKey of ethenyl dimethyl phosphate?
The InChIKey is FXBLJWDJXBQLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-4-8-9(5,6-2)7-3/h4H,1H2,2-3H3.
What are the key properties of ethenyl dimethyl phosphate?
ethenyl dimethyl phosphate has a molecular weight of 152.09 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl dimethyl phosphate is sourced from PubChem (CID 533982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).