tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane

C36H80O4Si4 — CID 158464609

IUPACtert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/2C18H40O2Si2/c2*1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6/h2*15-16H,11-14H2,1-10H3/t2*15-,16-/m10/s1
InChIKeyHFPHNMQMEUAXFJ-GKDAVOHLSA-N
MW689.38 g/mol
LogP12.68
Rot. Bonds8

About tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane (PubChem CID 158464609) has the molecular formula C36H80O4Si4 and a molecular weight of 689.38 g/mol. Its IUPAC name is tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
PubChem CID158464609
Molecular FormulaC36H80O4Si4
Molecular Weight689.38 g/mol
Exact Mass688.51
IUPAC Nametert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/2C18H40O2Si2/c2*1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6/h2*15-16H,11-14H2,1-10H3/t2*15-,16-/m10/s1
InChIKeyHFPHNMQMEUAXFJ-GKDAVOHLSA-N
XLogP12.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.38
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(2R,3S)-2-methyloxan-3-yl]oxysilane
CID 135079146
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-ol
CID 129404592
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane
CID 71619673
3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-ol
CID 70178632
(3S,4S,10R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methyloxecan-2-ol
CID 11384956
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
tert-butyl-dimethyl-[(1S,2S)-2-(1-trimethylsilylethenyl)cyclopentyl]oxysilane
CID 102254534
trimethyl-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxysilane
CID 58864550
methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 141177675
tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane
CID 162408684

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane?
The IUPAC name of 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) is tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane?
The InChIKey is HFPHNMQMEUAXFJ-GKDAVOHLSA-N. The full InChI is InChI=1S/2C18H40O2Si2/c2*1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6/h2*15-16H,11-14H2,1-10H3/t2*15-,16-/m10/s1.
What are the key properties of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane has a molecular weight of 689.38 g/mol, XLogP of 12.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 158464609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).