(3-methoxy-2-oxopropyl) dimethyl phosphate

C6H13O6P — CID 139615223

IUPAC(3-methoxy-2-oxopropyl) dimethyl phosphate
SMILESCOCC(=O)COP(=O)(OC)OC
InChIInChI=1S/C6H13O6P/c1-9-4-6(7)5-12-13(8,10-2)11-3/h4-5H2,1-3H3
InChIKeyVAIRZRLKMRXOPK-UHFFFAOYSA-N
MW212.14 g/mol
LogP0.62
Rot. Bonds7

About (3-methoxy-2-oxopropyl) dimethyl phosphate

(3-methoxy-2-oxopropyl) dimethyl phosphate (PubChem CID 139615223) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is (3-methoxy-2-oxopropyl) dimethyl phosphate.

Molecular Properties

Compound Name(3-methoxy-2-oxopropyl) dimethyl phosphate
PubChem CID139615223
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Name(3-methoxy-2-oxopropyl) dimethyl phosphate
SMILESCOCC(=O)COP(=O)(OC)OC
InChIInChI=1S/C6H13O6P/c1-9-4-6(7)5-12-13(8,10-2)11-3/h4-5H2,1-3H3
InChIKeyVAIRZRLKMRXOPK-UHFFFAOYSA-N
XLogP0.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-dimethoxyphosphoryloxyacetic acid
CID 88616837
dimethyl 2-oxopropyl phosphate
CID 14469675
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
1-fluoro-3-methoxypropan-2-one
CID 163646896
chloromethyl dimethyl phosphate
CID 88544336
1-methoxy-3-methylsulfonylpropan-2-one
CID 44558334
1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
CID 107508246
1,2-dimethoxyethane;pentan-3-one
CID 87877054
1-[methoxy(methyl)phosphoryl]oxypentan-2-one
CID 88842238
[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate
CID 170246060
1-methoxy-3-(2-methylpropoxy)propan-2-one
CID 107507918

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-oxopropyl) dimethyl phosphate?
The IUPAC name of (3-methoxy-2-oxopropyl) dimethyl phosphate (CID 139615223) is (3-methoxy-2-oxopropyl) dimethyl phosphate.
What is the SMILES notation for (3-methoxy-2-oxopropyl) dimethyl phosphate?
The canonical SMILES for (3-methoxy-2-oxopropyl) dimethyl phosphate is COCC(=O)COP(=O)(OC)OC.
What is the InChIKey of (3-methoxy-2-oxopropyl) dimethyl phosphate?
The InChIKey is VAIRZRLKMRXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O6P/c1-9-4-6(7)5-12-13(8,10-2)11-3/h4-5H2,1-3H3.
What are the key properties of (3-methoxy-2-oxopropyl) dimethyl phosphate?
(3-methoxy-2-oxopropyl) dimethyl phosphate has a molecular weight of 212.14 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-oxopropyl) dimethyl phosphate is sourced from PubChem (CID 139615223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).