ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate

C13H28O4Si — CID 14992914

IUPACethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
SMILESCCOC(=O)[C@@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h11,14H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyHTESVMOVOGLTPR-NSHDSACASA-N
MW276.45 g/mol
LogP2.71
Rot. Bonds7

About ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate

ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate (PubChem CID 14992914) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate.

Molecular Properties

Compound Nameethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
PubChem CID14992914
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Nameethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
SMILESCCOC(=O)[C@@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h11,14H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyHTESVMOVOGLTPR-NSHDSACASA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
CID 14321488
(2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolane-2-carboxylic acid
CID 174055708
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one
CID 15677666
2-[Tert-butyl(dimethyl)silyl]oxypentanedioic acid
CID 21640047
5-[Tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoic acid
CID 21992711
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxyoxolan-2-one
CID 59795609
4-[Tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid
CID 74943933
5-(tert-Butyl-dimethyl-silyloxy)-4-hydroxy-pentanoic Acid Ethyl Ester
CID 86592620
4-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid
CID 87149710

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate?
The IUPAC name of ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate (CID 14992914) is ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate.
What is the SMILES notation for ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate?
The canonical SMILES for ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate is CCOC(=O)[C@@H](O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate?
The InChIKey is HTESVMOVOGLTPR-NSHDSACASA-N. The full InChI is InChI=1S/C13H28O4Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h11,14H,7-10H2,1-6H3/t11-/m0/s1.
What are the key properties of ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate?
ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate has a molecular weight of 276.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate is sourced from PubChem (CID 14992914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).