2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate

C17H42O2Si4 — CID 58927101

IUPAC2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H42O2Si4/c1-13-17(2,3)16(18)19-14-15-23(20(4,5)6,21(7,8)9)22(10,11)12/h13-15H2,1-12H3
InChIKeyCOSLMMMZYMMGSU-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.66
Rot. Bonds8

About 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate

2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate (PubChem CID 58927101) has the molecular formula C17H42O2Si4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
PubChem CID58927101
Molecular FormulaC17H42O2Si4
Molecular Weight390.87 g/mol
Exact Mass390.23
IUPAC Name2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H42O2Si4/c1-13-17(2,3)16(18)19-14-15-23(20(4,5)6,21(7,8)9)22(10,11)12/h13-15H2,1-12H3
InChIKeyCOSLMMMZYMMGSU-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
CID 22889670
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
CID 153178486
3-tritritiooxysilylpropyl 2,2-dimethylbutanoate
CID 140697808
2-ethylsulfonylethyl 2,2-dimethylbutanoate
CID 118346141
(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate
CID 59893089
3-sulfanylpropyl 2,2-dimethylbutanoate
CID 89322969
tridecyl 2,2-dimethylbutanoate
CID 59651442
3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
CID 123433875

Frequently Asked Questions

What is the IUPAC name of 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate (CID 58927101) is 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate?
The InChIKey is COSLMMMZYMMGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O2Si4/c1-13-17(2,3)16(18)19-14-15-23(20(4,5)6,21(7,8)9)22(10,11)12/h13-15H2,1-12H3.
What are the key properties of 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate?
2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate has a molecular weight of 390.87 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 58927101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).