trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate

C13H32O4Si3 — CID 553502

IUPACtrimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate
SMILESCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-13(17-20(8,9)10,11-15-18(2,3)4)12(14)16-19(5,6)7/h11H2,1-10H3
InChIKeyWVOZKTFEMFSGRX-UHFFFAOYSA-N
MW336.65 g/mol
LogP3.83
Rot. Bonds7

About trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate

trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate (PubChem CID 553502) has the molecular formula C13H32O4Si3 and a molecular weight of 336.65 g/mol. Its IUPAC name is trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate
PubChem CID553502
Molecular FormulaC13H32O4Si3
Molecular Weight336.65 g/mol
Exact Mass336.16
IUPAC Nametrimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate
SMILESCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-13(17-20(8,9)10,11-15-18(2,3)4)12(14)16-19(5,6)7/h11H2,1-10H3
InChIKeyWVOZKTFEMFSGRX-UHFFFAOYSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-2,3-bis(trimethylsilyloxy)propanoate?
The IUPAC name of trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate (CID 553502) is trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate.
What is the SMILES notation for trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate?
The canonical SMILES for trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate is CC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate?
The InChIKey is WVOZKTFEMFSGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O4Si3/c1-13(17-20(8,9)10,11-15-18(2,3)4)12(14)16-19(5,6)7/h11H2,1-10H3.
What are the key properties of trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate?
trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate has a molecular weight of 336.65 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methyl-2,3-bis(trimethylsilyloxy)propanoate is sourced from PubChem (CID 553502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).