tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane

C19H40O4Si2 — CID 101004847

IUPACtert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1O[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-13-14-15(22-24(9,10)18(2,3)4)16(17(20-8)21-14)23-25(11,12)19(5,6)7/h13-17H,1H2,2-12H3/t14-,15+,16+,17+/m1/s1
InChIKeyXEKJNTIXHLSSLN-QZWWFDLISA-N
MW388.70 g/mol
LogP5.32
Rot. Bonds6

About tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane (PubChem CID 101004847) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane
PubChem CID101004847
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Nametert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1O[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-13-14-15(22-24(9,10)18(2,3)4)16(17(20-8)21-14)23-25(11,12)19(5,6)7/h13-17H,1H2,2-12H3/t14-,15+,16+,17+/m1/s1
InChIKeyXEKJNTIXHLSSLN-QZWWFDLISA-N
XLogP5.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(3R,4S)-4-prop-2-enyl-5-trimethylsilyloxyoxolan-3-yl]oxysilane
CID 11232794
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-triethylsilane
CID 134851327
[(3aR,4R,7R,7aR)-2,2-dimethyl-6-pent-4-enoxy-7-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134878490
2-[[(3R,5S)-5-ethenyl-2-methoxyoxolan-3-yl]oxymethoxy]ethyl-trimethylsilane
CID 134880732
1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane
CID 134883051
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane
CID 135078628
tert-butyl-[(1S)-1-[(4S,5R)-2,2-dimethyl-5-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane
CID 166449255
[(Z)-2-[(4R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]boronic acid
CID 166449256

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane (CID 101004847) is tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane is C=C[C@H]1O[C@H](OC)[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,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The InChIKey is XEKJNTIXHLSSLN-QZWWFDLISA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-13-14-15(22-24(9,10)18(2,3)4)16(17(20-8)21-14)23-25(11,12)19(5,6)7/h13-17H,1H2,2-12H3/t14-,15+,16+,17+/m1/s1.
What are the key properties of tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane has a molecular weight of 388.70 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 101004847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).