trimethylsilylmethyl butanoate

C8H18O2Si — CID 91696688

IUPACtrimethylsilylmethyl butanoate
SMILESCCCC(=O)OC[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-5-6-8(9)10-7-11(2,3)4/h5-7H2,1-4H3
InChIKeySKAHYVWSVGUELN-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.21
Rot. Bonds4

About trimethylsilylmethyl butanoate

trimethylsilylmethyl butanoate (PubChem CID 91696688) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is trimethylsilylmethyl butanoate.

Molecular Properties

Compound Nametrimethylsilylmethyl butanoate
PubChem CID91696688
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Nametrimethylsilylmethyl butanoate
SMILESCCCC(=O)OC[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-5-6-8(9)10-7-11(2,3)4/h5-7H2,1-4H3
InChIKeySKAHYVWSVGUELN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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 trimethylsilylmethyl butanoate?
The IUPAC name of trimethylsilylmethyl butanoate (CID 91696688) is trimethylsilylmethyl butanoate.
What is the SMILES notation for trimethylsilylmethyl butanoate?
The canonical SMILES for trimethylsilylmethyl butanoate is CCCC(=O)OC[Si](C)(C)C.
What is the InChIKey of trimethylsilylmethyl butanoate?
The InChIKey is SKAHYVWSVGUELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-5-6-8(9)10-7-11(2,3)4/h5-7H2,1-4H3.
What are the key properties of trimethylsilylmethyl butanoate?
trimethylsilylmethyl butanoate has a molecular weight of 174.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl butanoate is sourced from PubChem (CID 91696688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).