[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate

C9H17O6P — CID 23269188

IUPAC[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate
SMILESCCOP(=O)(OCC)O/C(C)=C/OC(C)=O
InChIInChI=1S/C9H17O6P/c1-5-13-16(11,14-6-2)15-8(3)7-12-9(4)10/h7H,5-6H2,1-4H3/b8-7+
InChIKeyLRFBJAGEPUBIJX-BQYQJAHWSA-N
MW252.20 g/mol
LogP2.61
Rot. Bonds7

About [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate

[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate (PubChem CID 23269188) has the molecular formula C9H17O6P and a molecular weight of 252.20 g/mol. Its IUPAC name is [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate
PubChem CID23269188
Molecular FormulaC9H17O6P
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate
SMILESCCOP(=O)(OCC)O/C(C)=C/OC(C)=O
InChIInChI=1S/C9H17O6P/c1-5-13-16(11,14-6-2)15-8(3)7-12-9(4)10/h7H,5-6H2,1-4H3/b8-7+
InChIKeyLRFBJAGEPUBIJX-BQYQJAHWSA-N
XLogP2.61
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-chloroprop-1-en-2-yl diethyl phosphate
CID 23272667
ethyl 3-diethoxyphosphoryloxybut-2-enoate
CID 21883
acetic acid;triethyl phosphate
CID 161446956
diethoxyphosphoryl 2,2-dimethylpropanoate
CID 131858368
diethyl 1-phenylsulfanylprop-1-en-2-yl phosphate
CID 71351687
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
[(1E,3E)-2-diethoxyphosphoryl-4-phenylbuta-1,3-dienyl] acetate
CID 11120882
diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate
CID 134893930
[(E)-2-cyano-3-ethoxyprop-1-enyl] acetate
CID 102248522
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856

Frequently Asked Questions

What is the IUPAC name of [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate?
The IUPAC name of [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate (CID 23269188) is [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate.
What is the SMILES notation for [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate?
The canonical SMILES for [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate is CCOP(=O)(OCC)O/C(C)=C/OC(C)=O.
What is the InChIKey of [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate?
The InChIKey is LRFBJAGEPUBIJX-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17O6P/c1-5-13-16(11,14-6-2)15-8(3)7-12-9(4)10/h7H,5-6H2,1-4H3/b8-7+.
What are the key properties of [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate?
[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate has a molecular weight of 252.20 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate is sourced from PubChem (CID 23269188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).