tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane

C15H27FO2Si — CID 174090250

IUPACtert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane
SMILESC[C@@H](COC1=C(F)CCC=C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27FO2Si/c1-12(18-19(5,6)15(2,3)4)11-17-14-10-8-7-9-13(14)16/h8,10,12H,7,9,11H2,1-6H3/t12-/m0/s1
InChIKeyBJFLYIRERNVLFW-LBPRGKRZSA-N
MW286.46 g/mol
LogP4.94
Rot. Bonds5

About tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane (PubChem CID 174090250) has the molecular formula C15H27FO2Si and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane
PubChem CID174090250
Molecular FormulaC15H27FO2Si
Molecular Weight286.46 g/mol
Exact Mass286.18
IUPAC Nametert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane
SMILESC[C@@H](COC1=C(F)CCC=C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27FO2Si/c1-12(18-19(5,6)15(2,3)4)11-17-14-10-8-7-9-13(14)16/h8,10,12H,7,9,11H2,1-6H3/t12-/m0/s1
InChIKeyBJFLYIRERNVLFW-LBPRGKRZSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane (CID 174090250) is tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane is C[C@@H](COC1=C(F)CCC=C1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane?
The InChIKey is BJFLYIRERNVLFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27FO2Si/c1-12(18-19(5,6)15(2,3)4)11-17-14-10-8-7-9-13(14)16/h8,10,12H,7,9,11H2,1-6H3/t12-/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane has a molecular weight of 286.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 174090250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).