methyl 3-trimethylsilyloxybutanoate

C8H18O3Si — CID 560665

IUPACmethyl 3-trimethylsilyloxybutanoate
SMILESCOC(=O)CC(C)O[Si](C)(C)C
InChIInChI=1S/C8H18O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h7H,6H2,1-5H3
InChIKeyFHDCVPMIQWHEAE-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.79
Rot. Bonds4

About methyl 3-trimethylsilyloxybutanoate

methyl 3-trimethylsilyloxybutanoate (PubChem CID 560665) has the molecular formula C8H18O3Si and a molecular weight of 190.31 g/mol. Its IUPAC name is methyl 3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl 3-trimethylsilyloxybutanoate
PubChem CID560665
Molecular FormulaC8H18O3Si
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Namemethyl 3-trimethylsilyloxybutanoate
SMILESCOC(=O)CC(C)O[Si](C)(C)C
InChIInChI=1S/C8H18O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h7H,6H2,1-5H3
InChIKeyFHDCVPMIQWHEAE-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-trimethylsilyloxybutanoate?
The IUPAC name of methyl 3-trimethylsilyloxybutanoate (CID 560665) is methyl 3-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl 3-trimethylsilyloxybutanoate?
The canonical SMILES for methyl 3-trimethylsilyloxybutanoate is COC(=O)CC(C)O[Si](C)(C)C.
What is the InChIKey of methyl 3-trimethylsilyloxybutanoate?
The InChIKey is FHDCVPMIQWHEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h7H,6H2,1-5H3.
What are the key properties of methyl 3-trimethylsilyloxybutanoate?
methyl 3-trimethylsilyloxybutanoate has a molecular weight of 190.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-trimethylsilyloxybutanoate is sourced from PubChem (CID 560665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).