methyl 2-methyl-3-trimethylsilylpropanoate

C8H18O2Si — CID 552617

IUPACmethyl 2-methyl-3-trimethylsilylpropanoate
SMILESCOC(=O)C(C)C[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-7(8(9)10-2)6-11(3,4)5/h7H,6H2,1-5H3
InChIKeyPXLWWYVEAMBGFN-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.13
Rot. Bonds3

About methyl 2-methyl-3-trimethylsilylpropanoate

methyl 2-methyl-3-trimethylsilylpropanoate (PubChem CID 552617) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is methyl 2-methyl-3-trimethylsilylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-trimethylsilylpropanoate
PubChem CID552617
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Namemethyl 2-methyl-3-trimethylsilylpropanoate
SMILESCOC(=O)C(C)C[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-7(8(9)10-2)6-11(3,4)5/h7H,6H2,1-5H3
InChIKeyPXLWWYVEAMBGFN-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl 2-methyl-3-trimethylsilylpropanoate?
The IUPAC name of methyl 2-methyl-3-trimethylsilylpropanoate (CID 552617) is methyl 2-methyl-3-trimethylsilylpropanoate.
What is the SMILES notation for methyl 2-methyl-3-trimethylsilylpropanoate?
The canonical SMILES for methyl 2-methyl-3-trimethylsilylpropanoate is COC(=O)C(C)C[Si](C)(C)C.
What is the InChIKey of methyl 2-methyl-3-trimethylsilylpropanoate?
The InChIKey is PXLWWYVEAMBGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-7(8(9)10-2)6-11(3,4)5/h7H,6H2,1-5H3.
What are the key properties of methyl 2-methyl-3-trimethylsilylpropanoate?
methyl 2-methyl-3-trimethylsilylpropanoate has a molecular weight of 174.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-trimethylsilylpropanoate is sourced from PubChem (CID 552617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).