trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate

C17H42O5Si4 — CID 552774

IUPACtrimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate
SMILESC[Si](C)(C)OCCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-13-17(22-26(10,11)12,15-20-24(4,5)6)16(18)21-25(7,8)9/h13-15H2,1-12H3
InChIKeyFKAKIAINQCBRDM-UHFFFAOYSA-N
MW438.86 g/mol
LogP5.05
Rot. Bonds11

About trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate

trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate (PubChem CID 552774) has the molecular formula C17H42O5Si4 and a molecular weight of 438.86 g/mol. Its IUPAC name is trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate
PubChem CID552774
Molecular FormulaC17H42O5Si4
Molecular Weight438.86 g/mol
Exact Mass438.21
IUPAC Nametrimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate
SMILESC[Si](C)(C)OCCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-13-17(22-26(10,11)12,15-20-24(4,5)6)16(18)21-25(7,8)9/h13-15H2,1-12H3
InChIKeyFKAKIAINQCBRDM-UHFFFAOYSA-N
XLogP5.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.86
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate?
The IUPAC name of trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate (CID 552774) is trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate.
What is the SMILES notation for trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate?
The canonical SMILES for trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate is C[Si](C)(C)OCCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate?
The InChIKey is FKAKIAINQCBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O5Si4/c1-23(2,3)19-14-13-17(22-26(10,11)12,15-20-24(4,5)6)16(18)21-25(7,8)9/h13-15H2,1-12H3.
What are the key properties of trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate?
trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate has a molecular weight of 438.86 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate is sourced from PubChem (CID 552774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).