tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate

C14H31O6PSi — CID 10959337

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate
SMILESCOP(=O)(OC)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H31O6PSi/c1-13(2,3)19-11(15)12(21(16,17-7)18-8)20-22(9,10)14(4,5)6/h12H,1-10H3
InChIKeyMTDZKTMDRWBNGX-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.16
Rot. Bonds6

About tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate (PubChem CID 10959337) has the molecular formula C14H31O6PSi and a molecular weight of 354.46 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate
PubChem CID10959337
Molecular FormulaC14H31O6PSi
Molecular Weight354.46 g/mol
Exact Mass354.16
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate
SMILESCOP(=O)(OC)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H31O6PSi/c1-13(2,3)19-11(15)12(21(16,17-7)18-8)20-22(9,10)14(4,5)6/h12H,1-10H3
InChIKeyMTDZKTMDRWBNGX-UHFFFAOYSA-N
XLogP4.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
tert-butyl N-[2-amino-2-[tert-butyl(dimethyl)silyl]oxyacetyl]carbamate
CID 139606123
tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
CID 162715349
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
4-O-tert-butyl 1-O-methyl (2S,3R)-2,3-bis(trimethylsilyl)butanedioate
CID 10640362
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 170984798
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 10565326
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
tert-butyl (2R)-2-chloro-2-trimethylsilylacetate
CID 124630222

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate (CID 10959337) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate is COP(=O)(OC)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate?
The InChIKey is MTDZKTMDRWBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O6PSi/c1-13(2,3)19-11(15)12(21(16,17-7)18-8)20-22(9,10)14(4,5)6/h12H,1-10H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate has a molecular weight of 354.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate is sourced from PubChem (CID 10959337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).