dimethyl 2-oxopropyl phosphate

C5H11O5P — CID 14469675

IUPACdimethyl 2-oxopropyl phosphate
SMILESCOP(=O)(OC)OCC(C)=O
InChIInChI=1S/C5H11O5P/c1-5(6)4-10-11(7,8-2)9-3/h4H2,1-3H3
InChIKeyQTVZMDBUTVCLGX-UHFFFAOYSA-N
MW182.11 g/mol
LogP0.99
Rot. Bonds5

About dimethyl 2-oxopropyl phosphate

dimethyl 2-oxopropyl phosphate (PubChem CID 14469675) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is dimethyl 2-oxopropyl phosphate.

Molecular Properties

Compound Namedimethyl 2-oxopropyl phosphate
PubChem CID14469675
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Namedimethyl 2-oxopropyl phosphate
SMILESCOP(=O)(OC)OCC(C)=O
InChIInChI=1S/C5H11O5P/c1-5(6)4-10-11(7,8-2)9-3/h4H2,1-3H3
InChIKeyQTVZMDBUTVCLGX-UHFFFAOYSA-N
XLogP0.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 50.99
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-dimethoxyphosphoryloxyacetic acid
CID 88616837
(3-methoxy-2-oxopropyl) dimethyl phosphate
CID 139615223
chloromethyl dimethyl phosphate
CID 88544336
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate
CID 170246060
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
2-[bis(carboxymethoxy)phosphoryloxy]acetic acid
CID 87435835
[2,3-dimethylbut-2-enoylperoxy(methoxy)phosphoryl] 2,3-dimethylbut-2-eneperoxoate
CID 140791716
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
hydroxy dimethyl phosphate
CID 126582959
methoxyethane;1-methoxypropan-2-one
CID 159894285
tris(2-amino-2-oxoethyl) phosphate
CID 88773864

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-oxopropyl phosphate?
The IUPAC name of dimethyl 2-oxopropyl phosphate (CID 14469675) is dimethyl 2-oxopropyl phosphate.
What is the SMILES notation for dimethyl 2-oxopropyl phosphate?
The canonical SMILES for dimethyl 2-oxopropyl phosphate is COP(=O)(OC)OCC(C)=O.
What is the InChIKey of dimethyl 2-oxopropyl phosphate?
The InChIKey is QTVZMDBUTVCLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5P/c1-5(6)4-10-11(7,8-2)9-3/h4H2,1-3H3.
What are the key properties of dimethyl 2-oxopropyl phosphate?
dimethyl 2-oxopropyl phosphate has a molecular weight of 182.11 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-oxopropyl phosphate is sourced from PubChem (CID 14469675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).