trimethylsilyl pentanoate

C8H18O2Si — CID 520262

IUPACtrimethylsilyl pentanoate
SMILESCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-5-6-7-8(9)10-11(2,3)4/h5-7H2,1-4H3
InChIKeyKBBNGLHDTQGESG-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.55
Rot. Bonds4

About trimethylsilyl pentanoate

trimethylsilyl pentanoate (PubChem CID 520262) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is trimethylsilyl pentanoate.

Molecular Properties

Compound Nametrimethylsilyl pentanoate
PubChem CID520262
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Nametrimethylsilyl pentanoate
SMILESCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-5-6-7-8(9)10-11(2,3)4/h5-7H2,1-4H3
InChIKeyKBBNGLHDTQGESG-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 trimethylsilyl pentanoate?
The IUPAC name of trimethylsilyl pentanoate (CID 520262) is trimethylsilyl pentanoate.
What is the SMILES notation for trimethylsilyl pentanoate?
The canonical SMILES for trimethylsilyl pentanoate is CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl pentanoate?
The InChIKey is KBBNGLHDTQGESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-5-6-7-8(9)10-11(2,3)4/h5-7H2,1-4H3.
What are the key properties of trimethylsilyl pentanoate?
trimethylsilyl pentanoate 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 trimethylsilyl pentanoate is sourced from PubChem (CID 520262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).