dimethylphosphoryloxymethyl 2,2-dimethylpropanoate

C8H17O4P — CID 59034886

IUPACdimethylphosphoryloxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOP(C)(C)=O
InChIInChI=1S/C8H17O4P/c1-8(2,3)7(9)11-6-12-13(4,5)10/h6H2,1-5H3
InChIKeyIQLMNZDNUAQCKA-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.09
Rot. Bonds3

About dimethylphosphoryloxymethyl 2,2-dimethylpropanoate

dimethylphosphoryloxymethyl 2,2-dimethylpropanoate (PubChem CID 59034886) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is dimethylphosphoryloxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namedimethylphosphoryloxymethyl 2,2-dimethylpropanoate
PubChem CID59034886
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Namedimethylphosphoryloxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOP(C)(C)=O
InChIInChI=1S/C8H17O4P/c1-8(2,3)7(9)11-6-12-13(4,5)10/h6H2,1-5H3
InChIKeyIQLMNZDNUAQCKA-UHFFFAOYSA-N
XLogP2.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dimethylphosphoryloxymethyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,2-dimethylpropanoyloxymethoxy(2,2-dimethylpropoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 139390399
[but-3-enyl(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 156661192
[(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 176768542
bis(2-chloroethylamino)phosphoryloxymethyl 2,2-dimethylpropanoate
CID 72551281
[methyl-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 145072882
[bis(2,2-dimethylpropanoyloxymethoxy)phosphanylmethyl-(2,2-dimethylpropanoyloxymethoxy)phosphanyl]oxymethyl 2,2-dimethylpropanoate
CID 154703347
[3,3-dimethylbutan-2-yloxymethoxy(propan-2-yl)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 130417351
[2,2-dimethylpropanoyloxymethoxy(6-methylhept-5-enyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 155554209
sodium;chloromethyl 2,2-dimethylpropanoate;1-dimethoxyphosphorylethane;[2,2-dimethylpropanoyloxymethoxy(ethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate;iodide
CID 161462053
methylcarbamoyloxymethyl 2,2-dimethylpropanoate
CID 126555369
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate
CID 153463655
propoxymethyl 2,2-dimethylpropanoate
CID 89008018

Frequently Asked Questions

What is the IUPAC name of dimethylphosphoryloxymethyl 2,2-dimethylpropanoate?
The IUPAC name of dimethylphosphoryloxymethyl 2,2-dimethylpropanoate (CID 59034886) is dimethylphosphoryloxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for dimethylphosphoryloxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for dimethylphosphoryloxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOP(C)(C)=O.
What is the InChIKey of dimethylphosphoryloxymethyl 2,2-dimethylpropanoate?
The InChIKey is IQLMNZDNUAQCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-8(2,3)7(9)11-6-12-13(4,5)10/h6H2,1-5H3.
What are the key properties of dimethylphosphoryloxymethyl 2,2-dimethylpropanoate?
dimethylphosphoryloxymethyl 2,2-dimethylpropanoate has a molecular weight of 208.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphoryloxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59034886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).