tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane

C28H58O2S2Si2 — CID 101186688

IUPACtert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CSC1CCCCC1)[C@H](CSC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H58O2S2Si2/c1-27(2,3)33(7,8)29-25(21-31-23-17-13-11-14-18-23)26(30-34(9,10)28(4,5)6)22-32-24-19-15-12-16-20-24/h23-26H,11-22H2,1-10H3/t25-,26-/m0/s1
InChIKeyPMIHVDZMVFXIEU-UIOOFZCWSA-N
MW547.08 g/mol
LogP9.90
Rot. Bonds11

About tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane (PubChem CID 101186688) has the molecular formula C28H58O2S2Si2 and a molecular weight of 547.08 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane
PubChem CID101186688
Molecular FormulaC28H58O2S2Si2
Molecular Weight547.08 g/mol
Exact Mass546.34
IUPAC Nametert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CSC1CCCCC1)[C@H](CSC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H58O2S2Si2/c1-27(2,3)33(7,8)29-25(21-31-23-17-13-11-14-18-23)26(30-34(9,10)28(4,5)6)22-32-24-19-15-12-16-20-24/h23-26H,11-22H2,1-10H3/t25-,26-/m0/s1
InChIKeyPMIHVDZMVFXIEU-UIOOFZCWSA-N
XLogP9.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.08
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
2,2-dimethoxyethylsulfanylcyclohexane
CID 66221293
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine
CID 64632835
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528
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-(cyclohexyloxymethoxy)-dimethylsilane
CID 139783422
[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid
CID 67852615
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64625936
tert-butyl-(1-cyclopentylprop-2-ynoxy)-dimethylsilane
CID 14314323

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane (CID 101186688) is tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H](CSC1CCCCC1)[C@H](CSC1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane?
The InChIKey is PMIHVDZMVFXIEU-UIOOFZCWSA-N. The full InChI is InChI=1S/C28H58O2S2Si2/c1-27(2,3)33(7,8)29-25(21-31-23-17-13-11-14-18-23)26(30-34(9,10)28(4,5)6)22-32-24-19-15-12-16-20-24/h23-26H,11-22H2,1-10H3/t25-,26-/m0/s1.
What are the key properties of tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane has a molecular weight of 547.08 g/mol, XLogP of 9.90, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 101186688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).