4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate

C19H34O5Si3 — CID 58975751

IUPAC4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C(=O)c1ccccc1
InChIInChI=1S/C19H34O5Si3/c1-25(2,3)23-27(6,7)24-26(4,5)16-12-11-15-22-19(21)18(20)17-13-9-8-10-14-17/h8-10,13-14H,11-12,15-16H2,1-7H3
InChIKeyIDOSGLJBJPKLOO-UHFFFAOYSA-N
MW426.73 g/mol
LogP4.97
Rot. Bonds11

About 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate

4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate (PubChem CID 58975751) has the molecular formula C19H34O5Si3 and a molecular weight of 426.73 g/mol. Its IUPAC name is 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate
PubChem CID58975751
Molecular FormulaC19H34O5Si3
Molecular Weight426.73 g/mol
Exact Mass426.17
IUPAC Name4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C(=O)c1ccccc1
InChIInChI=1S/C19H34O5Si3/c1-25(2,3)23-27(6,7)24-26(4,5)16-12-11-15-22-19(21)18(20)17-13-9-8-10-14-17/h8-10,13-14H,11-12,15-16H2,1-7H3
InChIKeyIDOSGLJBJPKLOO-UHFFFAOYSA-N
XLogP4.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.73
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-oxoacetyl]oxyethyl 2-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-oxoacetate
CID 20801350
3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate
CID 71201170
3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 101031805
[1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]-1-oxo-5,5-diphenylpenta-2,4-dien-2-yl]-methylazanide
CID 91185256
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
11-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
CID 102202619
ethyl 2-oxo-2-phenylacetate
CID 15349
1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 18728701
8-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]octan-1-ol
CID 20732733
[4-[4-[5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]pentoxy]benzoyl]oxy-3-methylphenyl] 4-[5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]pentoxy]benzoate
CID 100914821
dimethyl-(3-phenoxypropyl)-trimethylsilyloxysilane
CID 19912171

Frequently Asked Questions

What is the IUPAC name of 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate?
The IUPAC name of 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate (CID 58975751) is 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate.
What is the SMILES notation for 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate?
The canonical SMILES for 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate is C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C(=O)c1ccccc1.
What is the InChIKey of 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate?
The InChIKey is IDOSGLJBJPKLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5Si3/c1-25(2,3)23-27(6,7)24-26(4,5)16-12-11-15-22-19(21)18(20)17-13-9-8-10-14-17/h8-10,13-14H,11-12,15-16H2,1-7H3.
What are the key properties of 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate?
4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate has a molecular weight of 426.73 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate is sourced from PubChem (CID 58975751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).