[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'}

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Related Compounds

bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694129
[tert-butyl(dimethyl)silyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 91694127
[tert-butyl(dimethyl)silyl] 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694132
(2-tert-butylperoxy-2-oxoethyl)phosphonic acid
CID 71396047
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
butane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid
CID 87066053
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893

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).