tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate

C16H40O5Si4 — CID 20708550

IUPACtris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H40O5Si4/c1-13-16(2,3)15(17)18-14-25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12/h13-14H2,1-12H3
InChIKeyHHTCMHFNYFRYFX-UHFFFAOYSA-N
MW424.84 g/mol
LogP5.00
Rot. Bonds10

About tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate

tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate (PubChem CID 20708550) has the molecular formula C16H40O5Si4 and a molecular weight of 424.84 g/mol. Its IUPAC name is tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Nametris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate
PubChem CID20708550
Molecular FormulaC16H40O5Si4
Molecular Weight424.84 g/mol
Exact Mass424.20
IUPAC Nametris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H40O5Si4/c1-13-16(2,3)15(17)18-14-25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12/h13-14H2,1-12H3
InChIKeyHHTCMHFNYFRYFX-UHFFFAOYSA-N
XLogP5.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate
CID 140870325
3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate
CID 123329011
[[[bis[[methyl(diphenyl)silyl]oxy]-triphenylsilyloxysilyl]methyl-dimethylsilyl]oxy-[2-[[dimethyl(phenyl)silyl]oxy-bis(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[dimethyl-[2-tris(triphenylsilyloxy)silylethyl]silyl]oxysilyl]methyl 2,2-dimethylbutanoate
CID 88568238
(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate
CID 59893089
iodomethyl 2,2-dimethylbutanoate
CID 14459667
ethyl 2,2-dimethylbutanoate
CID 20744002
2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
CID 58927101
1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 20643559
3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
CID 123433875
fluoroethane;fluoromethyl 2,2-dimethylbutanoate
CID 91194207
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963

Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate?
The IUPAC name of tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate (CID 20708550) is tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate.
What is the SMILES notation for tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate?
The canonical SMILES for tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate?
The InChIKey is HHTCMHFNYFRYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O5Si4/c1-13-16(2,3)15(17)18-14-25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12/h13-14H2,1-12H3.
What are the key properties of tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate?
tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate has a molecular weight of 424.84 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 20708550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).