trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate

C14H34O4Si3 — CID 552752

IUPACtrimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate
SMILESCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-14(11-16-19(2,3)4,12-17-20(5,6)7)13(15)18-21(8,9)10/h11-12H2,1-10H3
InChIKeyANOIRFNMRYTOJQ-UHFFFAOYSA-N
MW350.68 g/mol
LogP4.07
Rot. Bonds8

About trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate

trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate (PubChem CID 552752) has the molecular formula C14H34O4Si3 and a molecular weight of 350.68 g/mol. Its IUPAC name is trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate
PubChem CID552752
Molecular FormulaC14H34O4Si3
Molecular Weight350.68 g/mol
Exact Mass350.18
IUPAC Nametrimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate
SMILESCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-14(11-16-19(2,3)4,12-17-20(5,6)7)13(15)18-21(8,9)10/h11-12H2,1-10H3
InChIKeyANOIRFNMRYTOJQ-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 54.07
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-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate?
The IUPAC name of trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate (CID 552752) is trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate.
What is the SMILES notation for trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate?
The canonical SMILES for trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate is CC(CO[Si](C)(C)C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate?
The InChIKey is ANOIRFNMRYTOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34O4Si3/c1-14(11-16-19(2,3)4,12-17-20(5,6)7)13(15)18-21(8,9)10/h11-12H2,1-10H3.
What are the key properties of trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate?
trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate has a molecular weight of 350.68 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methyl-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propanoate is sourced from PubChem (CID 552752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).