(3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate

C11H21O6P — CID 90122411

IUPAC(3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CP(=O)(OCC)OCC
InChIInChI=1S/C11H21O6P/c1-5-16-18(14,17-6-2)8-10(12)7-15-11(13)9(3)4/h10,12H,3,5-8H2,1-2,4H3
InChIKeyOQJSJDWATIMWIM-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.73
Rot. Bonds9

About (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate

(3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate (PubChem CID 90122411) has the molecular formula C11H21O6P and a molecular weight of 280.26 g/mol. Its IUPAC name is (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate
PubChem CID90122411
Molecular FormulaC11H21O6P
Molecular Weight280.26 g/mol
Exact Mass280.11
IUPAC Name(3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CP(=O)(OCC)OCC
InChIInChI=1S/C11H21O6P/c1-5-16-18(14,17-6-2)8-10(12)7-15-11(13)9(3)4/h10,12H,3,5-8H2,1-2,4H3
InChIKeyOQJSJDWATIMWIM-UHFFFAOYSA-N
XLogP1.73
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-diethoxyphosphoryloxy-2-hydroxypropyl) 2-methylprop-2-enoate
CID 101236796
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
diethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-methylazanium chloride
CID 19800674
(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate
CID 122661617
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
[3-[butoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate
CID 88647523
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
CID 18541546
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792

Frequently Asked Questions

What is the IUPAC name of (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate?
The IUPAC name of (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate (CID 90122411) is (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CP(=O)(OCC)OCC.
What is the InChIKey of (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate?
The InChIKey is OQJSJDWATIMWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O6P/c1-5-16-18(14,17-6-2)8-10(12)7-15-11(13)9(3)4/h10,12H,3,5-8H2,1-2,4H3.
What are the key properties of (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate?
(3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate has a molecular weight of 280.26 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 90122411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).