3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate

C16H39BrO5Si4 — CID 158260593

IUPAC3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate
SMILESC[SiH](C)O[Si](C)(CCCOC(=O)C(C)(C)Br)OC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C16H39BrO5Si4/c1-16(2,17)15(18)19-12-11-13-26(10,21-23(3)4)20-14-25(8,9)22-24(5,6)7/h23H,11-14H2,1-10H3
InChIKeySHKSZLHCJWODPQ-UHFFFAOYSA-N
MW503.73 g/mol
LogP4.78
Rot. Bonds12

About 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate

3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate (PubChem CID 158260593) has the molecular formula C16H39BrO5Si4 and a molecular weight of 503.73 g/mol. Its IUPAC name is 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate
PubChem CID158260593
Molecular FormulaC16H39BrO5Si4
Molecular Weight503.73 g/mol
Exact Mass502.11
IUPAC Name3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate
SMILESC[SiH](C)O[Si](C)(CCCOC(=O)C(C)(C)Br)OC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C16H39BrO5Si4/c1-16(2,17)15(18)19-12-11-13-26(10,21-23(3)4)20-14-25(8,9)22-24(5,6)7/h23H,11-14H2,1-10H3
InChIKeySHKSZLHCJWODPQ-UHFFFAOYSA-N
XLogP4.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.73
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsilylmethyl-methyl-trimethylsilyloxysilyl)propyl 2-bromo-2-methylpropanoate;3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate;methane;methyl(thiophosphoroso)phosphane;thiophosphorosophosphane
CID 158260591
3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 59476731
3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 139211567
3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate
CID 123329011
chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate
CID 160691888
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
5-[[dimethyl(trimethylsilyloxy)silyl]methoxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]-2-methylpentanoic acid
CID 90193114
undecyl 2-bromo-2-methylpropanoate
CID 87551125
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
2-thiophen-3-ylethyl 2-bromo-2-methylpropanoate
CID 86077032
11-(2-bromo-2-methylpropanoyl)oxyundecylphosphonic acid
CID 59562089
dimethylsilyloxy-[6-[dimethyl(trimethylsilyloxy)silyl]hexyl]-dimethylsilane
CID 173480533

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate?
The IUPAC name of 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate (CID 158260593) is 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate is C[SiH](C)O[Si](C)(CCCOC(=O)C(C)(C)Br)OC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate?
The InChIKey is SHKSZLHCJWODPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39BrO5Si4/c1-16(2,17)15(18)19-12-11-13-26(10,21-23(3)4)20-14-25(8,9)22-24(5,6)7/h23H,11-14H2,1-10H3.
What are the key properties of 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate?
3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate has a molecular weight of 503.73 g/mol, XLogP of 4.78, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 158260593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).