[(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane

C17H30O4Si — CID 11370826

IUPAC[(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane
SMILESC/C=C/CO[C@@H]1C=C[C@@H]2O[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C17H30O4Si/c1-7-8-11-18-13-9-10-15-20-14(16(13)21-15)12-19-22(5,6)17(2,3)4/h7-10,13-16H,11-12H2,1-6H3/b8-7+/t13-,14-,15+,16-/m1/s1
InChIKeyVVYZEGLECHETCI-ZDZMLTMXSA-N
MW326.51 g/mol
LogP3.65
Rot. Bonds6

About [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane

[(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11370826) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11370826
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name[(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane
SMILESC/C=C/CO[C@@H]1C=C[C@@H]2O[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C17H30O4Si/c1-7-8-11-18-13-9-10-15-20-14(16(13)21-15)12-19-22(5,6)17(2,3)4/h7-10,13-16H,11-12H2,1-6H3/b8-7+/t13-,14-,15+,16-/m1/s1
InChIKeyVVYZEGLECHETCI-ZDZMLTMXSA-N
XLogP3.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.65
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'}

Analyze [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane (CID 11370826) is [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane is C/C=C/CO[C@@H]1C=C[C@@H]2O[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O2.
What is the InChIKey of [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is VVYZEGLECHETCI-ZDZMLTMXSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-8-11-18-13-9-10-15-20-14(16(13)21-15)12-19-22(5,6)17(2,3)4/h7-10,13-16H,11-12H2,1-6H3/b8-7+/t13-,14-,15+,16-/m1/s1.
What are the key properties of [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane?
[(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 326.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11370826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).