tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane

C15H28O4Si — CID 86693879

IUPACtert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@H]2[C@@H]3O[C@@H]3[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)16-8-9-10-12(17-10)13-11(9)18-15(4,5)19-13/h9-13H,8H2,1-7H3/t9-,10+,11+,12+,13+/m0/s1
InChIKeyLNDIDBFEFQEHPA-ZOLYEBIHSA-N
MW300.47 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane

tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane (PubChem CID 86693879) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane
PubChem CID86693879
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nametert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@H]2[C@@H]3O[C@@H]3[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)16-8-9-10-12(17-10)13-11(9)18-15(4,5)19-13/h9-13H,8H2,1-7H3/t9-,10+,11+,12+,13+/m0/s1
InChIKeyLNDIDBFEFQEHPA-ZOLYEBIHSA-N
XLogP2.93
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane (CID 86693879) is tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane is CC1(C)O[C@H]2[C@@H]3O[C@@H]3[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane?
The InChIKey is LNDIDBFEFQEHPA-ZOLYEBIHSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)16-8-9-10-12(17-10)13-11(9)18-15(4,5)19-13/h9-13H,8H2,1-7H3/t9-,10+,11+,12+,13+/m0/s1.
What are the key properties of tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane has a molecular weight of 300.47 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,4R,5S,6R)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 86693879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).