tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane

C13H26O2Si — CID 88548685

IUPACtert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@]1(C)CCC[C@H]2O[C@@H]21
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16(5,6)15-13(4)9-7-8-10-11(13)14-10/h10-11H,7-9H2,1-6H3/t10-,11+,13-/m1/s1
InChIKeyHKPYFUXDEOXRCX-NTZNESFSSA-N
MW242.43 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane (PubChem CID 88548685) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
PubChem CID88548685
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@]1(C)CCC[C@H]2O[C@@H]21
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16(5,6)15-13(4)9-7-8-10-11(13)14-10/h10-11H,7-9H2,1-6H3/t10-,11+,13-/m1/s1
InChIKeyHKPYFUXDEOXRCX-NTZNESFSSA-N
XLogP3.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane (CID 88548685) is tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@]1(C)CCC[C@H]2O[C@@H]21.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane?
The InChIKey is HKPYFUXDEOXRCX-NTZNESFSSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(2,3)16(5,6)15-13(4)9-7-8-10-11(13)14-10/h10-11H,7-9H2,1-6H3/t10-,11+,13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane has a molecular weight of 242.43 g/mol, XLogP of 3.72, 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,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane is sourced from PubChem (CID 88548685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).