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

C14H24OSi — CID 11075439

IUPACtert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane
SMILESC#C[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C2
InChIInChI=1S/C14H24OSi/c1-7-14-9-11(14)8-12(10-14)15-16(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12-,14+/m0/s1
InChIKeyMTFXTCIFJPWLAT-SGMGOOAPSA-N
MW236.43 g/mol
LogP3.81
Rot. Bonds2

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

tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane (PubChem CID 11075439) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane
PubChem CID11075439
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Nametert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane
SMILESC#C[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C2
InChIInChI=1S/C14H24OSi/c1-7-14-9-11(14)8-12(10-14)15-16(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12-,14+/m0/s1
InChIKeyMTFXTCIFJPWLAT-SGMGOOAPSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(1S)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane
CID 54090106
tert-butyl-dimethyl-[[(1R,3S,5S)-1-methyl-3-bicyclo[3.1.0]hexanyl]oxy]silane
CID 59054945
tert-butyl-[[(1S,3S,5S)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane
CID 25074976

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane (CID 11075439) is tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane is C#C[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C2.
What is the InChIKey of tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane?
The InChIKey is MTFXTCIFJPWLAT-SGMGOOAPSA-N. The full InChI is InChI=1S/C14H24OSi/c1-7-14-9-11(14)8-12(10-14)15-16(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12-,14+/m0/s1.
What are the key properties of tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane?
tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,3S,5R)-1-ethynyl-3-bicyclo[3.1.0]hexanyl]oxy]-dimethylsilane is sourced from PubChem (CID 11075439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).