tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

C19H40O3Si2 — CID 59672533

IUPACtert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-15-16(22-24(10,11)19(5,6)7)12-13-20-17(15)14-21-23(8,9)18(2,3)4/h12-13,15-17H,14H2,1-11H3
InChIKeyBNTYKTUHHYEYCS-UHFFFAOYSA-N
MW372.70 g/mol
LogP5.95
Rot. Bonds5

About tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 59672533) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID59672533
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Nametert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-15-16(22-24(10,11)19(5,6)7)12-13-20-17(15)14-21-23(8,9)18(2,3)4/h12-13,15-17H,14H2,1-11H3
InChIKeyBNTYKTUHHYEYCS-UHFFFAOYSA-N
XLogP5.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 59672533) is tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is BNTYKTUHHYEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-15-16(22-24(10,11)19(5,6)7)12-13-20-17(15)14-21-23(8,9)18(2,3)4/h12-13,15-17H,14H2,1-11H3.
What are the key properties of tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 372.70 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 59672533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).