ethyl 3-[methoxy(methyl)phosphoryl]propanoate

C7H15O4P — CID 11019721

IUPACethyl 3-[methoxy(methyl)phosphoryl]propanoate
SMILESCCOC(=O)CCP(C)(=O)OC
InChIInChI=1S/C7H15O4P/c1-4-11-7(8)5-6-12(3,9)10-2/h4-6H2,1-3H3
InChIKeySDBCSPYTRBVIPP-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.49
Rot. Bonds5

About ethyl 3-[methoxy(methyl)phosphoryl]propanoate

ethyl 3-[methoxy(methyl)phosphoryl]propanoate (PubChem CID 11019721) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is ethyl 3-[methoxy(methyl)phosphoryl]propanoate.

Molecular Properties

Compound Nameethyl 3-[methoxy(methyl)phosphoryl]propanoate
PubChem CID11019721
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Nameethyl 3-[methoxy(methyl)phosphoryl]propanoate
SMILESCCOC(=O)CCP(C)(=O)OC
InChIInChI=1S/C7H15O4P/c1-4-11-7(8)5-6-12(3,9)10-2/h4-6H2,1-3H3
InChIKeySDBCSPYTRBVIPP-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methoxy(methyl)phosphoryl]propanoate?
The IUPAC name of ethyl 3-[methoxy(methyl)phosphoryl]propanoate (CID 11019721) is ethyl 3-[methoxy(methyl)phosphoryl]propanoate.
What is the SMILES notation for ethyl 3-[methoxy(methyl)phosphoryl]propanoate?
The canonical SMILES for ethyl 3-[methoxy(methyl)phosphoryl]propanoate is CCOC(=O)CCP(C)(=O)OC.
What is the InChIKey of ethyl 3-[methoxy(methyl)phosphoryl]propanoate?
The InChIKey is SDBCSPYTRBVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-4-11-7(8)5-6-12(3,9)10-2/h4-6H2,1-3H3.
What are the key properties of ethyl 3-[methoxy(methyl)phosphoryl]propanoate?
ethyl 3-[methoxy(methyl)phosphoryl]propanoate has a molecular weight of 194.17 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methoxy(methyl)phosphoryl]propanoate is sourced from PubChem (CID 11019721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).