tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane

C20H40O3Si2 — CID 12065429

IUPACtert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESC=CCO[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-12-15-21-16-13-14-17(22-24(8,9)19(2,3)4)18(16)23-25(10,11)20(5,6)7/h12-14,16-18H,1,15H2,2-11H3/t16-,17-,18+/m1/s1
InChIKeyTUELHVSYHOWKTQ-KURKYZTESA-N
MW384.71 g/mol
LogP5.91
Rot. Bonds7

About tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane (PubChem CID 12065429) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane
PubChem CID12065429
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Nametert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESC=CCO[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-12-15-21-16-13-14-17(22-24(8,9)19(2,3)4)18(16)23-25(10,11)20(5,6)7/h12-14,16-18H,1,15H2,2-11H3/t16-,17-,18+/m1/s1
InChIKeyTUELHVSYHOWKTQ-KURKYZTESA-N
XLogP5.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
2-(2,5-Dihydrofuran-2-yl)ethoxy-tri(propan-2-yl)silane
CID 10540004
(E)-3-[(2R,3R,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]prop-2-en-1-ol
CID 11034764
tert-butyl-[[(2S,5S)-5-tert-butyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11161923
tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
CID 11551386
triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
CID 11613803
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
tert-butyl-[[(2S,5S)-3,5-dimethyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630666
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
tert-butyl-[(1S)-1-(3-methoxy-2,5-dihydrofuran-2-yl)ethoxy]-dimethylsilane
CID 134836061

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane (CID 12065429) is tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane is C=CCO[C@@H]1C=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-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is TUELHVSYHOWKTQ-KURKYZTESA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-12-15-21-16-13-14-17(22-24(8,9)19(2,3)4)18(16)23-25(10,11)20(5,6)7/h12-14,16-18H,1,15H2,2-11H3/t16-,17-,18+/m1/s1.
What are the key properties of tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 384.71 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enoxycyclopent-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 12065429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).