tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane

C19H38O2Si2 — CID 101200499

IUPACtert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@H]21
InChIInChI=1S/C19H38O2Si2/c1-18(2,3)22(7,8)20-16-13-17(15-12-11-14(15)16)21-23(9,10)19(4,5)6/h11-12,14-17H,13H2,1-10H3/t14-,15+,16+,17-
InChIKeyLLCLUNWXSHLTCA-ZYGGUILKSA-N
MW354.68 g/mol
LogP5.97
Rot. Bonds4

About tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane

tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane (PubChem CID 101200499) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
PubChem CID101200499
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Nametert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@H]21
InChIInChI=1S/C19H38O2Si2/c1-18(2,3)22(7,8)20-16-13-17(15-12-11-14(15)16)21-23(9,10)19(4,5)6/h11-12,14-17H,13H2,1-10H3/t14-,15+,16+,17-
InChIKeyLLCLUNWXSHLTCA-ZYGGUILKSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane (CID 101200499) is tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@H]21.
What is the InChIKey of tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane?
The InChIKey is LLCLUNWXSHLTCA-ZYGGUILKSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-18(2,3)22(7,8)20-16-13-17(15-12-11-14(15)16)21-23(9,10)19(4,5)6/h11-12,14-17H,13H2,1-10H3/t14-,15+,16+,17-.
What are the key properties of tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane has a molecular weight of 354.68 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 101200499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).