1-dimethoxyphosphoryl-1-methoxypropan-2-one

C6H13O5P — CID 87461484

IUPAC1-dimethoxyphosphoryl-1-methoxypropan-2-one
SMILESCOC(C(C)=O)P(=O)(OC)OC
InChIInChI=1S/C6H13O5P/c1-5(7)6(9-2)12(8,10-3)11-4/h6H,1-4H3
InChIKeyVKFGXQMJAFFSRW-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.03
Rot. Bonds5

About 1-dimethoxyphosphoryl-1-methoxypropan-2-one

1-dimethoxyphosphoryl-1-methoxypropan-2-one (PubChem CID 87461484) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1-methoxypropan-2-one
PubChem CID87461484
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name1-dimethoxyphosphoryl-1-methoxypropan-2-one
SMILESCOC(C(C)=O)P(=O)(OC)OC
InChIInChI=1S/C6H13O5P/c1-5(7)6(9-2)12(8,10-3)11-4/h6H,1-4H3
InChIKeyVKFGXQMJAFFSRW-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.03
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

1-Diethoxyphosphorylpropan-2-one
CID 14028
Dimethyl (3-methoxy-2-oxopropyl)phosphonate
CID 359298
1-Diethoxyphosphoryl-1-methoxypropan-2-one
CID 14403412
Phosphoric acid diethyl ester 2-oxo-propyl ester
CID 14804965
1-Diethoxyphosphoryl-3-methoxypropan-2-one
CID 15271239
1-[Ethoxy(1-ethoxyethyl)phosphoryl]oxypropan-2-one
CID 23272881
1-Dimethoxyphosphoryl-2-methoxyethanone
CID 13440321
Dimethyl 2-oxopropyl phosphate
CID 14469675
1-Dimethoxyphosphoryl-3-propoxypropan-2-one
CID 14554864
Methoxy-oxo-(2-oxopropoxy)phosphanium
CID 21337595
Methyl-oxo-(2-oxopropoxy)phosphanium
CID 21337596
2-Oxobutoxymethylphosphonic acid
CID 53963211

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-1-methoxypropan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-1-methoxypropan-2-one (CID 87461484) is 1-dimethoxyphosphoryl-1-methoxypropan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-1-methoxypropan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-1-methoxypropan-2-one is COC(C(C)=O)P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-1-methoxypropan-2-one?
The InChIKey is VKFGXQMJAFFSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-5(7)6(9-2)12(8,10-3)11-4/h6H,1-4H3.
What are the key properties of 1-dimethoxyphosphoryl-1-methoxypropan-2-one?
1-dimethoxyphosphoryl-1-methoxypropan-2-one has a molecular weight of 196.14 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1-methoxypropan-2-one is sourced from PubChem (CID 87461484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).