ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate

C15H30O4Si — CID 56926514

IUPACethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate
SMILESCCOC(=O)[C@@H](CC=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-7-18-14(17)13(10-11-16)9-8-12-19-20(5,6)15(2,3)4/h11,13H,7-10,12H2,1-6H3/t13-/m1/s1
InChIKeyNNBICJZZATWXDU-CYBMUJFWSA-N
MW302.49 g/mol
LogP3.56
Rot. Bonds9

About ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate

ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate (PubChem CID 56926514) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate.

Molecular Properties

Compound Nameethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate
PubChem CID56926514
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate
SMILESCCOC(=O)[C@@H](CC=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-7-18-14(17)13(10-11-16)9-8-12-19-20(5,6)15(2,3)4/h11,13H,7-10,12H2,1-6H3/t13-/m1/s1
InChIKeyNNBICJZZATWXDU-CYBMUJFWSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-Furandione, dihydro-3-(3-(triethoxysilyl)propyl)-
CID 3022158
3-(Methyldiethoxysilyl)propylsuccinic anhydride
CID 23116723
3-(1-Triethoxysilylpropyl)oxolane-2,5-dione
CID 87120763
3-[3-[Dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 15738355
3-{3-[Ethoxy(dimethyl)silyl]propyl}oxolane-2,5-dione
CID 23116702
3-[3-[Methoxy(dimethyl)silyl]propyl]oxolane-2,5-dione
CID 23116713
3-[Diethoxy(methyl)silyl]-4-propyloxolane-2,5-dione
CID 57316510
3-Propyl-4-triethoxysilyloxolane-2,5-dione
CID 87060242
3-[1-[Dimethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 87125311
3-[1-[Diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 87125463
(3S)-3-(1-triethoxysilylpropyl)oxolane-2,5-dione
CID 87865871
(3S)-3-(3-triethoxysilylpropyl)oxolane-2,5-dione
CID 87865872

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate?
The IUPAC name of ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate (CID 56926514) is ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate.
What is the SMILES notation for ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate?
The canonical SMILES for ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate is CCOC(=O)[C@@H](CC=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate?
The InChIKey is NNBICJZZATWXDU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-7-18-14(17)13(10-11-16)9-8-12-19-20(5,6)15(2,3)4/h11,13H,7-10,12H2,1-6H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate?
ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate has a molecular weight of 302.49 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pentanoate is sourced from PubChem (CID 56926514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).