tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane

C23H48O4Si2 — CID 10873951

IUPACtert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(OC2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H48O4Si2/c1-22(2,3)28(7,8)26-19-15-18(25-21-13-11-12-14-24-21)16-20(17-19)27-29(9,10)23(4,5)6/h18-21H,11-17H2,1-10H3/t19-,20-,21?/m1/s1
InChIKeyYTKPOMWBMBRWSZ-OSBQEZSISA-N
MW444.81 g/mol
LogP6.86
Rot. Bonds6

About tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane (PubChem CID 10873951) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
PubChem CID10873951
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(OC2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H48O4Si2/c1-22(2,3)28(7,8)26-19-15-18(25-21-13-11-12-14-24-21)16-20(17-19)27-29(9,10)23(4,5)6/h18-21H,11-17H2,1-10H3/t19-,20-,21?/m1/s1
InChIKeyYTKPOMWBMBRWSZ-OSBQEZSISA-N
XLogP6.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane (CID 10873951) is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CC(OC2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?
The InChIKey is YTKPOMWBMBRWSZ-OSBQEZSISA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-22(2,3)28(7,8)26-19-15-18(25-21-13-11-12-14-24-21)16-20(17-19)27-29(9,10)23(4,5)6/h18-21H,11-17H2,1-10H3/t19-,20-,21?/m1/s1.
What are the key properties of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane has a molecular weight of 444.81 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 10873951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).