tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane

C12H22O2Si — CID 11470182

IUPACtert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC[C@@H]2O[C@H]12
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-10-8-6-7-9-11(10)13-9/h6,8-11H,7H2,1-5H3/t9-,10-,11-/m0/s1
InChIKeyYDJMANITRNVNSD-DCAQKATOSA-N
MW226.39 g/mol
LogP3.10
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane (PubChem CID 11470182) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane
PubChem CID11470182
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC[C@@H]2O[C@H]12
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-10-8-6-7-9-11(10)13-9/h6,8-11H,7H2,1-5H3/t9-,10-,11-/m0/s1
InChIKeyYDJMANITRNVNSD-DCAQKATOSA-N
XLogP3.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.10
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane (CID 11470182) is tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@H]1C=CC[C@@H]2O[C@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane?
The InChIKey is YDJMANITRNVNSD-DCAQKATOSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-10-8-6-7-9-11(10)13-9/h6,8-11H,7H2,1-5H3/t9-,10-,11-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane has a molecular weight of 226.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane is sourced from PubChem (CID 11470182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).