trimethylsilyl 2-ethylhexanoate

C11H24O2Si — CID 553386

IUPACtrimethylsilyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-6-8-9-10(7-2)11(12)13-14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyPUKDXSRBYWFRKB-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.58
Rot. Bonds6

About trimethylsilyl 2-ethylhexanoate

trimethylsilyl 2-ethylhexanoate (PubChem CID 553386) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is trimethylsilyl 2-ethylhexanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethylhexanoate
PubChem CID553386
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametrimethylsilyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-6-8-9-10(7-2)11(12)13-14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyPUKDXSRBYWFRKB-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.58
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 2-ethylhexanoate?
The IUPAC name of trimethylsilyl 2-ethylhexanoate (CID 553386) is trimethylsilyl 2-ethylhexanoate.
What is the SMILES notation for trimethylsilyl 2-ethylhexanoate?
The canonical SMILES for trimethylsilyl 2-ethylhexanoate is CCCCC(CC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethylhexanoate?
The InChIKey is PUKDXSRBYWFRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-6-8-9-10(7-2)11(12)13-14(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of trimethylsilyl 2-ethylhexanoate?
trimethylsilyl 2-ethylhexanoate has a molecular weight of 216.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethylhexanoate is sourced from PubChem (CID 553386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).