[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid

C8H19O5PSi — CID 58473369

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
SMILESCC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O)O
InChIInChI=1S/C8H19O5PSi/c1-8(2,3)15(4,5)13-7(9)6-14(10,11)12/h6H2,1-5H3,(H2,10,11,12)
InChIKeyDNHLAVQZIYSXKP-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.71
Rot. Bonds3

About [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid

[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid (PubChem CID 58473369) has the molecular formula C8H19O5PSi and a molecular weight of 254.29 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
PubChem CID58473369
Molecular FormulaC8H19O5PSi
Molecular Weight254.29 g/mol
Exact Mass254.07
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
SMILESCC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O)O
InChIInChI=1S/C8H19O5PSi/c1-8(2,3)15(4,5)13-7(9)6-14(10,11)12/h6H2,1-5H3,(H2,10,11,12)
InChIKeyDNHLAVQZIYSXKP-UHFFFAOYSA-N
XLogP1.71
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid (CID 58473369) is [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid is CC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O)O.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid?
The InChIKey is DNHLAVQZIYSXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5PSi/c1-8(2,3)15(4,5)13-7(9)6-14(10,11)12/h6H2,1-5H3,(H2,10,11,12).
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid?
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid has a molecular weight of 254.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 58473369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).