diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate

C10H19O5P — CID 134893930

IUPACdiethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate
SMILESC=C(C)COC(=C)OP(=O)(OCC)OCC
InChIInChI=1S/C10H19O5P/c1-6-13-16(11,14-7-2)15-10(5)12-8-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyBYQJOQDYBFMOQN-UHFFFAOYSA-N
MW250.23 g/mol
LogP3.25
Rot. Bonds9

About diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate

diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate (PubChem CID 134893930) has the molecular formula C10H19O5P and a molecular weight of 250.23 g/mol. Its IUPAC name is diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate.

Molecular Properties

Compound Namediethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate
PubChem CID134893930
Molecular FormulaC10H19O5P
Molecular Weight250.23 g/mol
Exact Mass250.10
IUPAC Namediethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate
SMILESC=C(C)COC(=C)OP(=O)(OCC)OCC
InChIInChI=1S/C10H19O5P/c1-6-13-16(11,14-7-2)15-10(5)12-8-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyBYQJOQDYBFMOQN-UHFFFAOYSA-N
XLogP3.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-methylidenehex-4-ynyl phosphate
CID 12025371
acetic acid;triethyl phosphate
CID 161446956
1-chloroprop-1-en-2-yl diethyl phosphate
CID 23272667
ethyl 3-diethoxyphosphoryloxybut-2-enoate
CID 21883
diethyl [(3E)-5-methylhexa-1,3-dien-2-yl] phosphate
CID 12063547
tris[2-(2-methylprop-2-enoxy)ethyl] phosphate
CID 87424877
diethoxyphosphoryl 2,2-dimethylpropanoate
CID 131858368
[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate
CID 23269188
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
diethoxy ethyl phosphate
CID 22136775
3-[ethoxy(methoxy)phosphoryl]-2-methylprop-1-ene
CID 142703300
(3-diethoxyphosphoryloxy-2-hydroxypropyl) 2-methylprop-2-enoate
CID 101236796

Frequently Asked Questions

What is the IUPAC name of diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate?
The IUPAC name of diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate (CID 134893930) is diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate.
What is the SMILES notation for diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate?
The canonical SMILES for diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate is C=C(C)COC(=C)OP(=O)(OCC)OCC.
What is the InChIKey of diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate?
The InChIKey is BYQJOQDYBFMOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O5P/c1-6-13-16(11,14-7-2)15-10(5)12-8-9(3)4/h3,5-8H2,1-2,4H3.
What are the key properties of diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate?
diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate has a molecular weight of 250.23 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-(2-methylprop-2-enoxy)ethenyl phosphate is sourced from PubChem (CID 134893930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).