butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate

C17H34O3Si — CID 58695095

IUPACbutyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate
SMILESCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-11-12-20-14(18)17(5,10-2)13-16(3,4)15(19)21(6,7)8/h9-13H2,1-8H3
InChIKeyLXBUGVJUALBJCV-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.61
Rot. Bonds9

About butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate

butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate (PubChem CID 58695095) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate.

Molecular Properties

Compound Namebutyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate
PubChem CID58695095
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namebutyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate
SMILESCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-11-12-20-14(18)17(5,10-2)13-16(3,4)15(19)21(6,7)8/h9-13H2,1-8H3
InChIKeyLXBUGVJUALBJCV-UHFFFAOYSA-N
XLogP4.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 59950490
Methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-hexanoate
CID 99768813
1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 20729167
(4-Methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
CID 22889670
1-O-tert-butyl 5-O-(3-trimethoxysilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 23393508
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-(2-methoxyethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 53729023
1-O-(2-methoxyethyl) 5-O-[2-(3-trimethylsilylprop-2-ynoxy)ethyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 58462752
Bis(2-trimethylsilylethyl) 3,3-dimethylpentanedioate
CID 87139235
Ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate
CID 88894206
3-Trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate
CID 88905095
3-Trimethylsilylpropyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 89115344
2-Trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 89477282

Frequently Asked Questions

What is the IUPAC name of butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate?
The IUPAC name of butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate (CID 58695095) is butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate.
What is the SMILES notation for butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate?
The canonical SMILES for butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate is CCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)[Si](C)(C)C.
What is the InChIKey of butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate?
The InChIKey is LXBUGVJUALBJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-11-12-20-14(18)17(5,10-2)13-16(3,4)15(19)21(6,7)8/h9-13H2,1-8H3.
What are the key properties of butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate?
butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate has a molecular weight of 314.54 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-ethyl-2,4,4-trimethyl-5-oxo-5-trimethylsilylpentanoate is sourced from PubChem (CID 58695095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).