tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane

C14H28OSi — CID 101431471

IUPACtert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane
SMILESCC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C[C@H]21
InChIInChI=1S/C14H28OSi/c1-13(2,3)16(6,7)15-12-9-10-8-11(10)14(12,4)5/h10-12H,8-9H2,1-7H3/t10-,11-,12+/m1/s1
InChIKeyODMNFUDGPIWVOP-UTUOFQBUSA-N
MW240.46 g/mol
LogP4.44
Rot. Bonds2

About tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane

tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane (PubChem CID 101431471) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane
PubChem CID101431471
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Nametert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane
SMILESCC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C[C@H]21
InChIInChI=1S/C14H28OSi/c1-13(2,3)16(6,7)15-12-9-10-8-11(10)14(12,4)5/h10-12H,8-9H2,1-7H3/t10-,11-,12+/m1/s1
InChIKeyODMNFUDGPIWVOP-UTUOFQBUSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.44
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-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane (CID 101431471) is tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane is CC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C[C@H]21.
What is the InChIKey of tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane?
The InChIKey is ODMNFUDGPIWVOP-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H28OSi/c1-13(2,3)16(6,7)15-12-9-10-8-11(10)14(12,4)5/h10-12H,8-9H2,1-7H3/t10-,11-,12+/m1/s1.
What are the key properties of tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane?
tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3S,5R)-2,2-dimethyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane is sourced from PubChem (CID 101431471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).