trimethylsilyl 2-ethylpentanoate

C10H22O2Si — CID 91749626

IUPACtrimethylsilyl 2-ethylpentanoate
SMILESCCCC(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-6-8-9(7-2)10(11)12-13(3,4)5/h9H,6-8H2,1-5H3
InChIKeyBULVSZKQIGEPAM-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.19
Rot. Bonds5

About trimethylsilyl 2-ethylpentanoate

trimethylsilyl 2-ethylpentanoate (PubChem CID 91749626) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is trimethylsilyl 2-ethylpentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethylpentanoate
PubChem CID91749626
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Nametrimethylsilyl 2-ethylpentanoate
SMILESCCCC(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-6-8-9(7-2)10(11)12-13(3,4)5/h9H,6-8H2,1-5H3
InChIKeyBULVSZKQIGEPAM-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.19
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-ethylpentanoate?
The IUPAC name of trimethylsilyl 2-ethylpentanoate (CID 91749626) is trimethylsilyl 2-ethylpentanoate.
What is the SMILES notation for trimethylsilyl 2-ethylpentanoate?
The canonical SMILES for trimethylsilyl 2-ethylpentanoate is CCCC(CC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethylpentanoate?
The InChIKey is BULVSZKQIGEPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-6-8-9(7-2)10(11)12-13(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of trimethylsilyl 2-ethylpentanoate?
trimethylsilyl 2-ethylpentanoate has a molecular weight of 202.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethylpentanoate is sourced from PubChem (CID 91749626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).