trimethylsilyl octanoate

C11H24O2Si — CID 521624

IUPACtrimethylsilyl octanoate
SMILESCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h5-10H2,1-4H3
InChIKeyGRHSLTISTCPPAT-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.72
Rot. Bonds7

About trimethylsilyl octanoate

trimethylsilyl octanoate (PubChem CID 521624) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is trimethylsilyl octanoate.

Molecular Properties

Compound Nametrimethylsilyl octanoate
PubChem CID521624
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametrimethylsilyl octanoate
SMILESCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h5-10H2,1-4H3
InChIKeyGRHSLTISTCPPAT-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethylsilyl octanoate?
The IUPAC name of trimethylsilyl octanoate (CID 521624) is trimethylsilyl octanoate.
What is the SMILES notation for trimethylsilyl octanoate?
The canonical SMILES for trimethylsilyl octanoate is CCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl octanoate?
The InChIKey is GRHSLTISTCPPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h5-10H2,1-4H3.
What are the key properties of trimethylsilyl octanoate?
trimethylsilyl octanoate has a molecular weight of 216.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl octanoate is sourced from PubChem (CID 521624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).