tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane

C13H24F4OSi — CID 162057171

IUPACtert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane
SMILESCC1[C@@H](F)[C@@H](F)C(O[Si](C)(C)C(C)(C)C)[C@@H](F)[C@H]1F
InChIInChI=1S/C13H24F4OSi/c1-7-8(14)10(16)12(11(17)9(7)15)18-19(5,6)13(2,3)4/h7-12H,1-6H3/t7?,8-,9+,10-,11+,12?
InChIKeyYZIKCEVGKOQBQN-BMACOTTCSA-N
MW300.41 g/mol
LogP4.38
Rot. Bonds2

About tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane

tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane (PubChem CID 162057171) has the molecular formula C13H24F4OSi and a molecular weight of 300.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane
PubChem CID162057171
Molecular FormulaC13H24F4OSi
Molecular Weight300.41 g/mol
Exact Mass300.15
IUPAC Nametert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane
SMILESCC1[C@@H](F)[C@@H](F)C(O[Si](C)(C)C(C)(C)C)[C@@H](F)[C@H]1F
InChIInChI=1S/C13H24F4OSi/c1-7-8(14)10(16)12(11(17)9(7)15)18-19(5,6)13(2,3)4/h7-12H,1-6H3/t7?,8-,9+,10-,11+,12?
InChIKeyYZIKCEVGKOQBQN-BMACOTTCSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.38
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-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane (CID 162057171) is tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane is CC1[C@@H](F)[C@@H](F)C(O[Si](C)(C)C(C)(C)C)[C@@H](F)[C@H]1F.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane?
The InChIKey is YZIKCEVGKOQBQN-BMACOTTCSA-N. The full InChI is InChI=1S/C13H24F4OSi/c1-7-8(14)10(16)12(11(17)9(7)15)18-19(5,6)13(2,3)4/h7-12H,1-6H3/t7?,8-,9+,10-,11+,12?.
What are the key properties of tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane?
tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane has a molecular weight of 300.41 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane is sourced from PubChem (CID 162057171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).