(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol

C16H36O3Si — CID 102278790

IUPAC(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
SMILESCC[C@@H]([C@H](O)[C@@H](O)CC)[C@@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C16H36O3Si/c1-7-13(16(18)14(17)8-2)15(9-3)19-20(10-4,11-5)12-6/h13-18H,7-12H2,1-6H3/t13-,14+,15-,16+/m1/s1
InChIKeyHYVBUGCXQBJKSS-QXSJWSMHSA-N
MW304.55 g/mol
LogP3.94
Rot. Bonds11

About (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol

(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol (PubChem CID 102278790) has the molecular formula C16H36O3Si and a molecular weight of 304.55 g/mol. Its IUPAC name is (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
PubChem CID102278790
Molecular FormulaC16H36O3Si
Molecular Weight304.55 g/mol
Exact Mass304.24
IUPAC Name(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
SMILESCC[C@@H]([C@H](O)[C@@H](O)CC)[C@@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C16H36O3Si/c1-7-13(16(18)14(17)8-2)15(9-3)19-20(10-4,11-5)12-6/h13-18H,7-12H2,1-6H3/t13-,14+,15-,16+/m1/s1
InChIKeyHYVBUGCXQBJKSS-QXSJWSMHSA-N
XLogP3.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol with MolForge

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Related Compounds

1-(2,2-Dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol
CID 143247526
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol
CID 10978745
(2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 11089168
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
CID 11403559
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
CID 14061530
(3S)-3-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]butane-1,2-diol
CID 16680393
(2S,3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-2,3-diol
CID 21771973
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynonane-1,2-diol
CID 54576109
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(2R,3R,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 101369900
(2S)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 101544998

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol?
The IUPAC name of (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol (CID 102278790) is (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol.
What is the SMILES notation for (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol?
The canonical SMILES for (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol is CC[C@@H]([C@H](O)[C@@H](O)CC)[C@@H](CC)O[Si](CC)(CC)CC.
What is the InChIKey of (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol?
The InChIKey is HYVBUGCXQBJKSS-QXSJWSMHSA-N. The full InChI is InChI=1S/C16H36O3Si/c1-7-13(16(18)14(17)8-2)15(9-3)19-20(10-4,11-5)12-6/h13-18H,7-12H2,1-6H3/t13-,14+,15-,16+/m1/s1.
What are the key properties of (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol?
(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol has a molecular weight of 304.55 g/mol, XLogP of 3.94, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol is sourced from PubChem (CID 102278790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).