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

C21H52O6Si5 — CID 523337

IUPACtrimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)18(24-29(4,5)6)16-20(22)26-31(10,11)12/h18-19,21H,16-17H2,1-15H3
InChIKeyOBPOAKQSZGHIPD-UHFFFAOYSA-N
MW541.07 g/mol
LogP6.27
Rot. Bonds14

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

trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate (PubChem CID 523337) has the molecular formula C21H52O6Si5 and a molecular weight of 541.07 g/mol. Its IUPAC name is trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
PubChem CID523337
Molecular FormulaC21H52O6Si5
Molecular Weight541.07 g/mol
Exact Mass540.26
IUPAC Nametrimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)18(24-29(4,5)6)16-20(22)26-31(10,11)12/h18-19,21H,16-17H2,1-15H3
InChIKeyOBPOAKQSZGHIPD-UHFFFAOYSA-N
XLogP6.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate (CID 523337) is trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate is C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate?
The InChIKey is OBPOAKQSZGHIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)18(24-29(4,5)6)16-20(22)26-31(10,11)12/h18-19,21H,16-17H2,1-15H3.
What are the key properties of trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate?
trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate has a molecular weight of 541.07 g/mol, XLogP of 6.27, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 523337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).