[ethyl(dimethyl)silyl] butanoate

C8H18O2Si — CID 554716

IUPAC[ethyl(dimethyl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)CC
InChIInChI=1S/C8H18O2Si/c1-5-7-8(9)10-11(3,4)6-2/h5-7H2,1-4H3
InChIKeyTWUQXROQCVCIBN-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.55
Rot. Bonds4

About [ethyl(dimethyl)silyl] butanoate

[ethyl(dimethyl)silyl] butanoate (PubChem CID 554716) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is [ethyl(dimethyl)silyl] butanoate.

Molecular Properties

Compound Name[ethyl(dimethyl)silyl] butanoate
PubChem CID554716
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name[ethyl(dimethyl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)CC
InChIInChI=1S/C8H18O2Si/c1-5-7-8(9)10-11(3,4)6-2/h5-7H2,1-4H3
InChIKeyTWUQXROQCVCIBN-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.55
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 [ethyl(dimethyl)silyl] butanoate?
The IUPAC name of [ethyl(dimethyl)silyl] butanoate (CID 554716) is [ethyl(dimethyl)silyl] butanoate.
What is the SMILES notation for [ethyl(dimethyl)silyl] butanoate?
The canonical SMILES for [ethyl(dimethyl)silyl] butanoate is CCCC(=O)O[Si](C)(C)CC.
What is the InChIKey of [ethyl(dimethyl)silyl] butanoate?
The InChIKey is TWUQXROQCVCIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-5-7-8(9)10-11(3,4)6-2/h5-7H2,1-4H3.
What are the key properties of [ethyl(dimethyl)silyl] butanoate?
[ethyl(dimethyl)silyl] butanoate has a molecular weight of 174.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(dimethyl)silyl] butanoate is sourced from PubChem (CID 554716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).