3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate

C16H34O2Si — CID 88905095

IUPAC3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate
SMILESCCC(C)(CC(C)(C)C)C(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-9-16(5,13-15(2,3)4)14(17)18-11-10-12-19(6,7)8/h9-13H2,1-8H3
InChIKeyNQORQYLEESTCNZ-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.11
Rot. Bonds7

About 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate

3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate (PubChem CID 88905095) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate
PubChem CID88905095
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate
SMILESCCC(C)(CC(C)(C)C)C(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-9-16(5,13-15(2,3)4)14(17)18-11-10-12-19(6,7)8/h9-13H2,1-8H3
InChIKeyNQORQYLEESTCNZ-UHFFFAOYSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.11
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 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate?
The IUPAC name of 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate (CID 88905095) is 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate.
What is the SMILES notation for 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate?
The canonical SMILES for 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate is CCC(C)(CC(C)(C)C)C(=O)OCCC[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate?
The InChIKey is NQORQYLEESTCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-9-16(5,13-15(2,3)4)14(17)18-11-10-12-19(6,7)8/h9-13H2,1-8H3.
What are the key properties of 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate?
3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate has a molecular weight of 286.53 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate is sourced from PubChem (CID 88905095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).