5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate

C15H30O4Si — CID 11174159

IUPAC5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate
SMILESCC(=O)CC(=O)OCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-13(16)12-14(17)18-10-8-7-9-11-19-20(5,6)15(2,3)4/h7-12H2,1-6H3
InChIKeyKRFDCQARZZHZPP-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.70
Rot. Bonds9

About 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate

5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate (PubChem CID 11174159) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate
PubChem CID11174159
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate
SMILESCC(=O)CC(=O)OCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-13(16)12-14(17)18-10-8-7-9-11-19-20(5,6)15(2,3)4/h7-12H2,1-6H3
InChIKeyKRFDCQARZZHZPP-UHFFFAOYSA-N
XLogP3.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(Trimethoxysilyl)propyl 3-oxobutanoate
CID 22022576
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
[5-[Tert-butyl(dimethyl)silyl]oxy-2-oxopentyl] acetate
CID 134858788
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134975630
Methyl 3-oxo-5-trimethylsilylethoxypentanoate
CID 101618191
1-Triethoxysilylpropyl 3-oxobutanoate
CID 22186349
1-Trimethoxysilylpropyl 3-oxobutanoate
CID 22186350
(2-Trimethylsilylethyl) 3-oxovalerate
CID 23595852
4-Trimethoxysilylbutyl 3-oxobutanoate
CID 57788494
3-[Dimethoxy(methyl)silyl]propyl 3-oxobutanoate
CID 58760844
3-Triethoxysilylpropyl 3-oxobutanoate
CID 58760846
3-[Diethoxy(ethyl)silyl]propyl 3-oxobutanoate
CID 58760847

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate (CID 11174159) is 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate is CC(=O)CC(=O)OCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate?
The InChIKey is KRFDCQARZZHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-13(16)12-14(17)18-10-8-7-9-11-19-20(5,6)15(2,3)4/h7-12H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate?
5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate has a molecular weight of 302.49 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypentyl 3-oxobutanoate is sourced from PubChem (CID 11174159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).