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

C16H34O5Si — CID 23642893

IUPACethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
SMILESCCC[C@H](C[C@@H](O)[C@H](O)C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O5Si/c1-8-10-12(21-22(6,7)16(3,4)5)11-13(17)14(18)15(19)20-9-2/h12-14,17-18H,8-11H2,1-7H3/t12-,13-,14+/m1/s1
InChIKeySLOFBVISMXYJTH-MCIONIFRSA-N
MW334.53 g/mol
LogP2.85
Rot. Bonds9

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

ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate (PubChem CID 23642893) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate.

Molecular Properties

Compound Nameethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
PubChem CID23642893
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Nameethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
SMILESCCC[C@H](C[C@@H](O)[C@H](O)C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O5Si/c1-8-10-12(21-22(6,7)16(3,4)5)11-13(17)14(18)15(19)20-9-2/h12-14,17-18H,8-11H2,1-7H3/t12-,13-,14+/m1/s1
InChIKeySLOFBVISMXYJTH-MCIONIFRSA-N
XLogP2.85
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-O-Palmitoyl-L-ascorbate
CID 44588046
Methyl 2,3,5-trihydroxytridecanoate
CID 56839943
Methyl-2,3,5-trihydroxytetradecanoate
CID 102429718
Methyl 2,3,5-trihydroxytetradecanoate
CID 163072910
[3-Hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate
CID 23843944
glucose 6-O-palmitate
CID 22853569
6-o-Lauroyl-d-glucose
CID 129852327
(5S, 6R) Methyl 5,6-di(tert-butyldimethylsiloxy)-7-hydroxyheptanoate
CID 86598272
(4R,5S)-2,3,4,5-tetrahydroxy-6-tridecanoyloxyhexanoic acid
CID 449105
8-O-tert-butyl 1-O-propan-2-yl (2S,3S,6R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-4-oxooctanedioate
CID 10886253
methyl (2S,3R,4S)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydroxy-4-methylhexanoate
CID 10893444
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-dihydroxyoctanoate?
The IUPAC name of ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate (CID 23642893) is ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate.
What is the SMILES notation for ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate?
The canonical SMILES for ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate is CCC[C@H](C[C@@H](O)[C@H](O)C(=O)OCC)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-dihydroxyoctanoate?
The InChIKey is SLOFBVISMXYJTH-MCIONIFRSA-N. The full InChI is InChI=1S/C16H34O5Si/c1-8-10-12(21-22(6,7)16(3,4)5)11-13(17)14(18)15(19)20-9-2/h12-14,17-18H,8-11H2,1-7H3/t12-,13-,14+/m1/s1.
What are the key properties of ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate?
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate has a molecular weight of 334.53 g/mol, XLogP of 2.85, 9 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-dihydroxyoctanoate is sourced from PubChem (CID 23642893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).