trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane

C10H9F11OSi — CID 15416940

IUPACtrimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane
SMILESC[Si](C)(C)OC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F11OSi/c1-23(2,3)22-5-4(8(15,16)17)6(11,12)9(18,19)10(20,21)7(5,13)14/h1-3H3
InChIKeyMJRBUODXKKHJIR-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.21
Rot. Bonds2

About trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane

trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane (PubChem CID 15416940) has the molecular formula C10H9F11OSi and a molecular weight of 382.25 g/mol. Its IUPAC name is trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane
PubChem CID15416940
Molecular FormulaC10H9F11OSi
Molecular Weight382.25 g/mol
Exact Mass382.02
IUPAC Nametrimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane
SMILESC[Si](C)(C)OC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F11OSi/c1-23(2,3)22-5-4(8(15,16)17)6(11,12)9(18,19)10(20,21)7(5,13)14/h1-3H3
InChIKeyMJRBUODXKKHJIR-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane (CID 15416940) is trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane is C[Si](C)(C)OC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane?
The InChIKey is MJRBUODXKKHJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11OSi/c1-23(2,3)22-5-4(8(15,16)17)6(11,12)9(18,19)10(20,21)7(5,13)14/h1-3H3.
What are the key properties of trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane?
trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane has a molecular weight of 382.25 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 15416940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).