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

C18H38O3Si2 — CID 11164225

IUPACtert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESC[C@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-14-16(21-23(10,11)18(5,6)7)15(12-13-19-14)20-22(8,9)17(2,3)4/h12-16H,1-11H3/t14-,15+,16-/m1/s1
InChIKeyAWUUEOFMBNBQBH-OWCLPIDISA-N
MW358.67 g/mol
LogP5.70
Rot. Bonds4

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

tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (PubChem CID 11164225) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
PubChem CID11164225
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Nametert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESC[C@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-14-16(21-23(10,11)18(5,6)7)15(12-13-19-14)20-22(8,9)17(2,3)4/h12-16H,1-11H3/t14-,15+,16-/m1/s1
InChIKeyAWUUEOFMBNBQBH-OWCLPIDISA-N
XLogP5.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.70
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

1,4-Anhydro-2-deoxy-3,5-bis-O-(t-butyldimethylsilyl)-D-erythro-pent-1-enitol
CID 11824133
Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
1,5-Anhydro-2-deoxy-3,4,6-tris-O-(triisopropylsilyl)-D-arabino-hex-1-enitol
CID 11181065
tert-butyl-(3,4-dihydro-2H-pyran-2-ylmethoxy)-dimethylsilane
CID 134858905
3,6-Di-O-tert-butyldimethylsilyl-D-glucal
CID 14176659
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 134940111
tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10909148
trimethyl-[[(2R,3S)-3-trimethylsilyloxy-2,3-dihydrofuran-2-yl]methoxy]silane
CID 11129066
(3aR,4S,7aS)-2,2-ditert-butyl-4-methyl-4,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-c]pyran
CID 71723079
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10961214
lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane
CID 11079036

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (CID 11164225) is tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is C[C@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The InChIKey is AWUUEOFMBNBQBH-OWCLPIDISA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-14-16(21-23(10,11)18(5,6)7)15(12-13-19-14)20-22(8,9)17(2,3)4/h12-16H,1-11H3/t14-,15+,16-/m1/s1.
What are the key properties of tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane has a molecular weight of 358.67 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11164225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).