trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate

C21H50O7Si5 — CID 630503

IUPACtrimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h18-20H,16H2,1-15H3
InChIKeyWCPLKXXSULMBQL-UHFFFAOYSA-N
MW555.05 g/mol
LogP5.45
Rot. Bonds14

About trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate

trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate (PubChem CID 630503) has the molecular formula C21H50O7Si5 and a molecular weight of 555.05 g/mol. Its IUPAC name is trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate
PubChem CID630503
Molecular FormulaC21H50O7Si5
Molecular Weight555.05 g/mol
Exact Mass554.24
IUPAC Nametrimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h18-20H,16H2,1-15H3
InChIKeyWCPLKXXSULMBQL-UHFFFAOYSA-N
XLogP5.45
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.05
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate (CID 630503) is trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate is C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate?
The InChIKey is WCPLKXXSULMBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h18-20H,16H2,1-15H3.
What are the key properties of trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate?
trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate has a molecular weight of 555.05 g/mol, XLogP of 5.45, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-oxo-2,3,4,6-tetrakis(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 630503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).