tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane

C31H60O4Si2 — CID 91587052

IUPACtert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane
SMILESCC(CCCC=CC=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1)O[C@@H]1CCCCO1
InChIInChI=1S/C31H60O4Si2/c1-25(33-29-20-16-17-21-32-29)18-14-12-13-15-19-26-22-27(34-36(8,9)30(2,3)4)24-28(23-26)35-37(10,11)31(5,6)7/h13,15,19,25,27-29H,12,14,16-18,20-24H2,1-11H3/t25?,27-,28-,29-/m1/s1
InChIKeyHMBSBAQWVUVLIU-VZXWBTEVSA-N
MW552.99 g/mol
LogP9.54
Rot. Bonds11

About tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane (PubChem CID 91587052) has the molecular formula C31H60O4Si2 and a molecular weight of 552.99 g/mol. Its IUPAC name is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane
PubChem CID91587052
Molecular FormulaC31H60O4Si2
Molecular Weight552.99 g/mol
Exact Mass552.40
IUPAC Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane
SMILESCC(CCCC=CC=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1)O[C@@H]1CCCCO1
InChIInChI=1S/C31H60O4Si2/c1-25(33-29-20-16-17-21-32-29)18-14-12-13-15-19-26-22-27(34-36(8,9)30(2,3)4)24-28(23-26)35-37(10,11)31(5,6)7/h13,15,19,25,27-29H,12,14,16-18,20-24H2,1-11H3/t25?,27-,28-,29-/m1/s1
InChIKeyHMBSBAQWVUVLIU-VZXWBTEVSA-N
XLogP9.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.99
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
CID 57884091
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
CID 69008184
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane
CID 88060707
(e)-(r)-8-[(3r,5r)-3,5-Bis-(tert-butyl-dimethyl-silyloxy)-cyclohexylidene]-2-(tetrahydro-pyran-2-yloxy)-oct-6-ene
CID 88060709
tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane
CID 139619863
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(7R)-7-(oxan-2-yloxy)oct-2-enylidene]cyclohexyl]oxy-dimethylsilane
CID 145779803
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-(oxan-2-yloxy)oct-2-enylidene]cyclohexyl]oxy-dimethylsilane
CID 173229883
(2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(oxan-2-yloxy)cyclohexylidene]ethanol
CID 177563859

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane (CID 91587052) is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane is CC(CCCC=CC=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1)O[C@@H]1CCCCO1.
What is the InChIKey of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane?
The InChIKey is HMBSBAQWVUVLIU-VZXWBTEVSA-N. The full InChI is InChI=1S/C31H60O4Si2/c1-25(33-29-20-16-17-21-32-29)18-14-12-13-15-19-26-22-27(34-36(8,9)30(2,3)4)24-28(23-26)35-37(10,11)31(5,6)7/h13,15,19,25,27-29H,12,14,16-18,20-24H2,1-11H3/t25?,27-,28-,29-/m1/s1.
What are the key properties of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane has a molecular weight of 552.99 g/mol, XLogP of 9.54, 11 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-[7-[(2R)-oxan-2-yl]oxyoct-2-enylidene]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 91587052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).