ethyl 3-trimethylsilyloxybutanoate

C9H20O3Si — CID 554460

IUPACethyl 3-trimethylsilyloxybutanoate
SMILESCCOC(=O)CC(C)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-6-11-9(10)7-8(2)12-13(3,4)5/h8H,6-7H2,1-5H3
InChIKeyFYIQYAPKCNKCON-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.18
Rot. Bonds5

About ethyl 3-trimethylsilyloxybutanoate

ethyl 3-trimethylsilyloxybutanoate (PubChem CID 554460) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is ethyl 3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nameethyl 3-trimethylsilyloxybutanoate
PubChem CID554460
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Nameethyl 3-trimethylsilyloxybutanoate
SMILESCCOC(=O)CC(C)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-6-11-9(10)7-8(2)12-13(3,4)5/h8H,6-7H2,1-5H3
InChIKeyFYIQYAPKCNKCON-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.18
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 ethyl 3-trimethylsilyloxybutanoate?
The IUPAC name of ethyl 3-trimethylsilyloxybutanoate (CID 554460) is ethyl 3-trimethylsilyloxybutanoate.
What is the SMILES notation for ethyl 3-trimethylsilyloxybutanoate?
The canonical SMILES for ethyl 3-trimethylsilyloxybutanoate is CCOC(=O)CC(C)O[Si](C)(C)C.
What is the InChIKey of ethyl 3-trimethylsilyloxybutanoate?
The InChIKey is FYIQYAPKCNKCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-6-11-9(10)7-8(2)12-13(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of ethyl 3-trimethylsilyloxybutanoate?
ethyl 3-trimethylsilyloxybutanoate has a molecular weight of 204.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-trimethylsilyloxybutanoate is sourced from PubChem (CID 554460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).