tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane

C20H42O3Si2 — CID 58940428

IUPACtert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane
SMILESC[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-16-18(23-25(10,11)20(5,6)7)14-12-13-17(22-16)15-21-24(8,9)19(2,3)4/h13,16,18H,12,14-15H2,1-11H3/t16-,18-/m0/s1
InChIKeyFRLBVMCZHOFJOV-WMZOPIPTSA-N
MW386.73 g/mol
LogP6.48
Rot. Bonds5

About tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane (PubChem CID 58940428) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane
PubChem CID58940428
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Nametert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane
SMILESC[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-16-18(23-25(10,11)20(5,6)7)14-12-13-17(22-16)15-21-24(8,9)19(2,3)4/h13,16,18H,12,14-15H2,1-11H3/t16-,18-/m0/s1
InChIKeyFRLBVMCZHOFJOV-WMZOPIPTSA-N
XLogP6.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane (CID 58940428) is tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane is C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane?
The InChIKey is FRLBVMCZHOFJOV-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-16-18(23-25(10,11)20(5,6)7)14-12-13-17(22-16)15-21-24(8,9)19(2,3)4/h13,16,18H,12,14-15H2,1-11H3/t16-,18-/m0/s1.
What are the key properties of tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane has a molecular weight of 386.73 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,3,4,5-tetrahydrooxepin-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 58940428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).