1-[ethyl(methoxy)phosphoryl]propan-2-one

C6H13O3P — CID 87463185

IUPAC1-[ethyl(methoxy)phosphoryl]propan-2-one
SMILESCCP(=O)(CC(C)=O)OC
InChIInChI=1S/C6H13O3P/c1-4-10(8,9-3)5-6(2)7/h4-5H2,1-3H3
InChIKeySACMLGZWTUMTQG-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.52
Rot. Bonds4

About 1-[ethyl(methoxy)phosphoryl]propan-2-one

1-[ethyl(methoxy)phosphoryl]propan-2-one (PubChem CID 87463185) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-[ethyl(methoxy)phosphoryl]propan-2-one.

Molecular Properties

Compound Name1-[ethyl(methoxy)phosphoryl]propan-2-one
PubChem CID87463185
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name1-[ethyl(methoxy)phosphoryl]propan-2-one
SMILESCCP(=O)(CC(C)=O)OC
InChIInChI=1S/C6H13O3P/c1-4-10(8,9-3)5-6(2)7/h4-5H2,1-3H3
InChIKeySACMLGZWTUMTQG-UHFFFAOYSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bis(methylperoxy)phosphorylpropan-2-one
CID 175531781
[ethoxy(ethyl)phosphoryl]methanol
CID 129384384
1-dimethoxyphosphoryl-3-ethylhexan-2-one
CID 21328894
dimethyl 2-oxopropyl phosphate
CID 14469675
1-[ethyl(trioxidanyl)phosphoryl]ethane
CID 89425498
methyl 4-dimethoxyphosphoryl-3-methylbut-2-enoate
CID 54369846
diethylphosphoryl butanoate
CID 19107766
[acetyloxy(ethyl)phosphoryl] acetate
CID 173089018
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459
1,2-dimethoxyethane;pentan-3-one
CID 87877054
acetic acid;dimethylphosphoryloxymethane
CID 174989212
1-dimethoxyphosphoryl-3-fluorononan-2-one
CID 15003083

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methoxy)phosphoryl]propan-2-one?
The IUPAC name of 1-[ethyl(methoxy)phosphoryl]propan-2-one (CID 87463185) is 1-[ethyl(methoxy)phosphoryl]propan-2-one.
What is the SMILES notation for 1-[ethyl(methoxy)phosphoryl]propan-2-one?
The canonical SMILES for 1-[ethyl(methoxy)phosphoryl]propan-2-one is CCP(=O)(CC(C)=O)OC.
What is the InChIKey of 1-[ethyl(methoxy)phosphoryl]propan-2-one?
The InChIKey is SACMLGZWTUMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-4-10(8,9-3)5-6(2)7/h4-5H2,1-3H3.
What are the key properties of 1-[ethyl(methoxy)phosphoryl]propan-2-one?
1-[ethyl(methoxy)phosphoryl]propan-2-one has a molecular weight of 164.14 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methoxy)phosphoryl]propan-2-one is sourced from PubChem (CID 87463185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).