trimethylsilyl 2-ethoxy-2-phosphorosopropanoate

C8H17O4PSi — CID 174663193

IUPACtrimethylsilyl 2-ethoxy-2-phosphorosopropanoate
SMILESCCOC(C)(P=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H17O4PSi/c1-6-11-8(2,13-10)7(9)12-14(3,4)5/h6H2,1-5H3
InChIKeyNOPYFXMRRTVUEC-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.41
Rot. Bonds5

About trimethylsilyl 2-ethoxy-2-phosphorosopropanoate

trimethylsilyl 2-ethoxy-2-phosphorosopropanoate (PubChem CID 174663193) has the molecular formula C8H17O4PSi and a molecular weight of 236.28 g/mol. Its IUPAC name is trimethylsilyl 2-ethoxy-2-phosphorosopropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethoxy-2-phosphorosopropanoate
PubChem CID174663193
Molecular FormulaC8H17O4PSi
Molecular Weight236.28 g/mol
Exact Mass236.06
IUPAC Nametrimethylsilyl 2-ethoxy-2-phosphorosopropanoate
SMILESCCOC(C)(P=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H17O4PSi/c1-6-11-8(2,13-10)7(9)12-14(3,4)5/h6H2,1-5H3
InChIKeyNOPYFXMRRTVUEC-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-ethoxy-2-phosphorosopropanoate?
The IUPAC name of trimethylsilyl 2-ethoxy-2-phosphorosopropanoate (CID 174663193) is trimethylsilyl 2-ethoxy-2-phosphorosopropanoate.
What is the SMILES notation for trimethylsilyl 2-ethoxy-2-phosphorosopropanoate?
The canonical SMILES for trimethylsilyl 2-ethoxy-2-phosphorosopropanoate is CCOC(C)(P=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethoxy-2-phosphorosopropanoate?
The InChIKey is NOPYFXMRRTVUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4PSi/c1-6-11-8(2,13-10)7(9)12-14(3,4)5/h6H2,1-5H3.
What are the key properties of trimethylsilyl 2-ethoxy-2-phosphorosopropanoate?
trimethylsilyl 2-ethoxy-2-phosphorosopropanoate has a molecular weight of 236.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethoxy-2-phosphorosopropanoate is sourced from PubChem (CID 174663193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).