trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate

C12H30O4Si3 — CID 520886

IUPACtrimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H30O4Si3/c1-17(2,3)14-10-11(15-18(4,5)6)12(13)16-19(7,8)9/h11H,10H2,1-9H3
InChIKeyVTLZEKUPFUIGJQ-UHFFFAOYSA-N
MW322.63 g/mol
LogP3.44
Rot. Bonds7

About trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate

trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate (PubChem CID 520886) has the molecular formula C12H30O4Si3 and a molecular weight of 322.63 g/mol. Its IUPAC name is trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate
PubChem CID520886
Molecular FormulaC12H30O4Si3
Molecular Weight322.63 g/mol
Exact Mass322.15
IUPAC Nametrimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H30O4Si3/c1-17(2,3)14-10-11(15-18(4,5)6)12(13)16-19(7,8)9/h11H,10H2,1-9H3
InChIKeyVTLZEKUPFUIGJQ-UHFFFAOYSA-N
XLogP3.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 53.44
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 2,3-bis(trimethylsilyloxy)propanoate?
The IUPAC name of trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate (CID 520886) is trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate.
What is the SMILES notation for trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate?
The canonical SMILES for trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate is C[Si](C)(C)OCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate?
The InChIKey is VTLZEKUPFUIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O4Si3/c1-17(2,3)14-10-11(15-18(4,5)6)12(13)16-19(7,8)9/h11H,10H2,1-9H3.
What are the key properties of trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate?
trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate has a molecular weight of 322.63 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3-bis(trimethylsilyloxy)propanoate is sourced from PubChem (CID 520886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).