ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate

C14H30O5Si — CID 23631762

IUPACethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-8-18-13(17)12(16)11(15)9-10(2)19-20(6,7)14(3,4)5/h10-12,15-16H,8-9H2,1-7H3/t10-,11-,12+/m1/s1
InChIKeySABFUABKVMTIOK-UTUOFQBUSA-N
MW306.48 g/mol
LogP2.07
Rot. Bonds7

About ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate

ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate (PubChem CID 23631762) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate.

Molecular Properties

Compound Nameethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
PubChem CID23631762
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Nameethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-8-18-13(17)12(16)11(15)9-10(2)19-20(6,7)14(3,4)5/h10-12,15-16H,8-9H2,1-7H3/t10-,11-,12+/m1/s1
InChIKeySABFUABKVMTIOK-UTUOFQBUSA-N
XLogP2.07
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate with MolForge

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Related Compounds

1,6-Diethyl hexarate
CID 228094
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
CID 14321488
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
Ethylhexonate
CID 18534329
6-t-Butyldimethylsilyloxymethyl-4-hydroxytetrahydropyran-2-one
CID 19389468
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(dihydroxymethyl)-tetrahydropyran-2-one
CID 44128178
D-Gluconic acid ethyl ester
CID 54218816
Diethyl (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate
CID 54417116
dibutyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 59866795
Hexane gluconate
CID 129703063
tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 11485711

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate?
The IUPAC name of ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate (CID 23631762) is ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate.
What is the SMILES notation for ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate?
The canonical SMILES for ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate is CCOC(=O)[C@@H](O)[C@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate?
The InChIKey is SABFUABKVMTIOK-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-8-18-13(17)12(16)11(15)9-10(2)19-20(6,7)14(3,4)5/h10-12,15-16H,8-9H2,1-7H3/t10-,11-,12+/m1/s1.
What are the key properties of ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate?
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate has a molecular weight of 306.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate is sourced from PubChem (CID 23631762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).