tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C20H42O4Si2 — CID 23240870

IUPACtert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC/C=C/C1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O4Si2/c1-12-13-18-23-16(14-21-25(8,9)19(2,3)4)17(24-18)15-22-26(10,11)20(5,6)7/h12-13,16-18H,14-15H2,1-11H3/b13-12+/t16-,17-/m0/s1
InChIKeyFDXMDBOLLRPGIU-CPQFKCLQSA-N
MW402.72 g/mol
LogP5.72
Rot. Bonds7

About tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 23240870) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID23240870
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Nametert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC/C=C/C1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O4Si2/c1-12-13-18-23-16(14-21-25(8,9)19(2,3)4)17(24-18)15-22-26(10,11)20(5,6)7/h12-13,16-18H,14-15H2,1-11H3/b13-12+/t16-,17-/m0/s1
InChIKeyFDXMDBOLLRPGIU-CPQFKCLQSA-N
XLogP5.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 55.72
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-[3-prop-2-enoxy-2-(2-trimethylsilylethoxymethoxy)propoxy]silane
CID 11143315
tert-butyl-[[(2R,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59027020
tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 68707768
(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 164930812
[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 10054323
Tert-butyl-[(2-ethenyl-1,3-dioxolan-4-yl)methoxy]-dimethylsilane
CID 10900882
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-5-methoxy-2,5-dihydrofuran-2-yl]but-3-enoxy]-dimethylsilane
CID 12065435
[(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 23240874
ethyl (E)-3-[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]prop-2-enoate
CID 23240876
tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 23240877
methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate
CID 23240884
Methyl 2,3-bis-O-[tert-butyl(dimethyl)silyl]-5,6-dideoxy-alpha-L-lyxo-hex-5-enofuranoside
CID 99772841

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 23240870) is tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is C/C=C/C1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is FDXMDBOLLRPGIU-CPQFKCLQSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-12-13-18-23-16(14-21-25(8,9)19(2,3)4)17(24-18)15-22-26(10,11)20(5,6)7/h12-13,16-18H,14-15H2,1-11H3/b13-12+/t16-,17-/m0/s1.
What are the key properties of tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 402.72 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 23240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).