[(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane

C20H41BrO2Si2 — CID 11305476

IUPAC[(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C2CCCCC2)C[C@]1(Br)C[Si](C)(C)C
InChIInChI=1S/C20H41BrO2Si2/c1-19(2,3)25(7,8)23-18-20(21,15-24(4,5)6)14-17(22-18)16-12-10-9-11-13-16/h16-18H,9-15H2,1-8H3/t17-,18+,20+/m1/s1
InChIKeyGHRJCKXIOSQJKR-HBFSDRIKSA-N
MW449.62 g/mol
LogP7.18
Rot. Bonds5

About [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane

[(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane (PubChem CID 11305476) has the molecular formula C20H41BrO2Si2 and a molecular weight of 449.62 g/mol. Its IUPAC name is [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane
PubChem CID11305476
Molecular FormulaC20H41BrO2Si2
Molecular Weight449.62 g/mol
Exact Mass448.18
IUPAC Name[(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C2CCCCC2)C[C@]1(Br)C[Si](C)(C)C
InChIInChI=1S/C20H41BrO2Si2/c1-19(2,3)25(7,8)23-18-20(21,15-24(4,5)6)14-17(22-18)16-12-10-9-11-13-16/h16-18H,9-15H2,1-8H3/t17-,18+,20+/m1/s1
InChIKeyGHRJCKXIOSQJKR-HBFSDRIKSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.62
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,5S)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-non-3-enyl]oxolan-3-yl]methyl-trimethylsilane
CID 12964921
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane
CID 140674612
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane
CID 162408684
[(5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl]oxy-tert-butyl-dimethylsilane
CID 58853162
tert-butyl-dimethyl-(3-methylcyclohexyl)oxysilane
CID 14087160
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
tert-butyl-cyclodec-2-en-1-yloxy-dimethylsilane
CID 68820963
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane?
The IUPAC name of [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane (CID 11305476) is [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane.
What is the SMILES notation for [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane?
The canonical SMILES for [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C2CCCCC2)C[C@]1(Br)C[Si](C)(C)C.
What is the InChIKey of [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane?
The InChIKey is GHRJCKXIOSQJKR-HBFSDRIKSA-N. The full InChI is InChI=1S/C20H41BrO2Si2/c1-19(2,3)25(7,8)23-18-20(21,15-24(4,5)6)14-17(22-18)16-12-10-9-11-13-16/h16-18H,9-15H2,1-8H3/t17-,18+,20+/m1/s1.
What are the key properties of [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane?
[(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane has a molecular weight of 449.62 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyloxolan-3-yl]methyl-trimethylsilane is sourced from PubChem (CID 11305476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).