tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate

C20H38O3Si — CID 46915894

IUPACtert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate
SMILESC[C@@H]1[C@H](/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-14(13-22-24(9,10)20(6,7)8)11-12-16-15(2)17(16)18(21)23-19(3,4)5/h11-12,14-17H,13H2,1-10H3/b12-11+/t14-,15-,16+,17+/m1/s1
InChIKeyAMOVQVCXGDQJPF-WWOXGQTFSA-N
MW354.61 g/mol
LogP5.42
Rot. Bonds6

About tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate

tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate (PubChem CID 46915894) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate
PubChem CID46915894
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nametert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate
SMILESC[C@@H]1[C@H](/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-14(13-22-24(9,10)20(6,7)8)11-12-16-15(2)17(16)18(21)23-19(3,4)5/h11-12,14-17H,13H2,1-10H3/b12-11+/t14-,15-,16+,17+/m1/s1
InChIKeyAMOVQVCXGDQJPF-WWOXGQTFSA-N
XLogP5.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.42
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-[(E)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 101405389
tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
CID 24755951
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate
CID 23239903
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal;methyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate;methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
CID 159525447
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
(E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine
CID 11108529
tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
CID 87652886
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
tert-butyl-[(E,2S,5S)-5-cyclohepta-2,4,6-trien-1-yl-2,5-dimethylhept-3-enoxy]-dimethylsilane
CID 154712103

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate (CID 46915894) is tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate is C[C@@H]1[C@H](/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate?
The InChIKey is AMOVQVCXGDQJPF-WWOXGQTFSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-14(13-22-24(9,10)20(6,7)8)11-12-16-15(2)17(16)18(21)23-19(3,4)5/h11-12,14-17H,13H2,1-10H3/b12-11+/t14-,15-,16+,17+/m1/s1.
What are the key properties of tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate?
tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate has a molecular weight of 354.61 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 46915894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).