diethoxyphosphoryl 2,2-dimethylpropanoate

C9H19O5P — CID 131858368

IUPACdiethoxyphosphoryl 2,2-dimethylpropanoate
SMILESCCOP(=O)(OCC)OC(=O)C(C)(C)C
InChIInChI=1S/C9H19O5P/c1-6-12-15(11,13-7-2)14-8(10)9(3,4)5/h6-7H2,1-5H3
InChIKeyLBQQDHIXASXFRN-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.76
Rot. Bonds5

About diethoxyphosphoryl 2,2-dimethylpropanoate

diethoxyphosphoryl 2,2-dimethylpropanoate (PubChem CID 131858368) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is diethoxyphosphoryl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namediethoxyphosphoryl 2,2-dimethylpropanoate
PubChem CID131858368
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Namediethoxyphosphoryl 2,2-dimethylpropanoate
SMILESCCOP(=O)(OCC)OC(=O)C(C)(C)C
InChIInChI=1S/C9H19O5P/c1-6-12-15(11,13-7-2)14-8(10)9(3,4)5/h6-7H2,1-5H3
InChIKeyLBQQDHIXASXFRN-UHFFFAOYSA-N
XLogP2.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,3-dihydroxypropoxy(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate
CID 87133675
acetic acid;triethyl phosphate
CID 161446956
difluorophosphoryl 2,2-dimethylpropanoate
CID 12690185
(3-diethoxyphosphoryloxy-2,2-dimethylpropyl) diethyl phosphate
CID 518173
ethyl bis(1,1,2-trichloroethyl) phosphate
CID 139654084
[(E)-2-diethoxyphosphoryloxyprop-1-enyl] acetate
CID 23269188
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
1-chloroprop-1-en-2-yl diethyl phosphate
CID 23272667
ethyl 3-diethoxyphosphoryloxybut-2-enoate
CID 21883
triethyl phosphate;bis(trimethylsilane)
CID 175760856
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
sulfur trioxide;triethyl phosphate
CID 86745268

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl 2,2-dimethylpropanoate?
The IUPAC name of diethoxyphosphoryl 2,2-dimethylpropanoate (CID 131858368) is diethoxyphosphoryl 2,2-dimethylpropanoate.
What is the SMILES notation for diethoxyphosphoryl 2,2-dimethylpropanoate?
The canonical SMILES for diethoxyphosphoryl 2,2-dimethylpropanoate is CCOP(=O)(OCC)OC(=O)C(C)(C)C.
What is the InChIKey of diethoxyphosphoryl 2,2-dimethylpropanoate?
The InChIKey is LBQQDHIXASXFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-6-12-15(11,13-7-2)14-8(10)9(3,4)5/h6-7H2,1-5H3.
What are the key properties of diethoxyphosphoryl 2,2-dimethylpropanoate?
diethoxyphosphoryl 2,2-dimethylpropanoate has a molecular weight of 238.22 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl 2,2-dimethylpropanoate is sourced from PubChem (CID 131858368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).