methyl 4-trimethylsilyloxybutanoate

C8H18O3Si — CID 13082825

IUPACmethyl 4-trimethylsilyloxybutanoate
SMILESCOC(=O)CCCO[Si](C)(C)C
InChIInChI=1S/C8H18O3Si/c1-10-8(9)6-5-7-11-12(2,3)4/h5-7H2,1-4H3
InChIKeyCGTMQHWDJCAKDD-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.79
Rot. Bonds5

About methyl 4-trimethylsilyloxybutanoate

methyl 4-trimethylsilyloxybutanoate (PubChem CID 13082825) has the molecular formula C8H18O3Si and a molecular weight of 190.31 g/mol. Its IUPAC name is methyl 4-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl 4-trimethylsilyloxybutanoate
PubChem CID13082825
Molecular FormulaC8H18O3Si
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Namemethyl 4-trimethylsilyloxybutanoate
SMILESCOC(=O)CCCO[Si](C)(C)C
InChIInChI=1S/C8H18O3Si/c1-10-8(9)6-5-7-11-12(2,3)4/h5-7H2,1-4H3
InChIKeyCGTMQHWDJCAKDD-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-trimethylsilyloxybutanoate?
The IUPAC name of methyl 4-trimethylsilyloxybutanoate (CID 13082825) is methyl 4-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl 4-trimethylsilyloxybutanoate?
The canonical SMILES for methyl 4-trimethylsilyloxybutanoate is COC(=O)CCCO[Si](C)(C)C.
What is the InChIKey of methyl 4-trimethylsilyloxybutanoate?
The InChIKey is CGTMQHWDJCAKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si/c1-10-8(9)6-5-7-11-12(2,3)4/h5-7H2,1-4H3.
What are the key properties of methyl 4-trimethylsilyloxybutanoate?
methyl 4-trimethylsilyloxybutanoate has a molecular weight of 190.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-trimethylsilyloxybutanoate is sourced from PubChem (CID 13082825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).