tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane

C13H26OSi — CID 59054945

IUPACtert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2C[C@]2(C)C1
InChIInChI=1S/C13H26OSi/c1-12(2,3)15(5,6)14-11-7-10-8-13(10,4)9-11/h10-11H,7-9H2,1-6H3/t10-,11+,13-/m1/s1
InChIKeyZGHLNODMINVNHB-NTZNESFSSA-N
MW226.44 g/mol
LogP4.20
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane

tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane (PubChem CID 59054945) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane
PubChem CID59054945
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2C[C@]2(C)C1
InChIInChI=1S/C13H26OSi/c1-12(2,3)15(5,6)14-11-7-10-8-13(10,4)9-11/h10-11H,7-9H2,1-6H3/t10-,11+,13-/m1/s1
InChIKeyZGHLNODMINVNHB-NTZNESFSSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane (CID 59054945) is tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2C[C@]2(C)C1.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane?
The InChIKey is ZGHLNODMINVNHB-NTZNESFSSA-N. The full InChI is InChI=1S/C13H26OSi/c1-12(2,3)15(5,6)14-11-7-10-8-13(10,4)9-11/h10-11H,7-9H2,1-6H3/t10-,11+,13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane?
tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane has a molecular weight of 226.44 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane is sourced from PubChem (CID 59054945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).