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

C15H17F13OSi — CID 14914234

IUPACtrimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
SMILESC[Si](C)(C)OC1=CCCCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F13OSi/c1-30(2,3)29-9-7-5-4-6-8(9)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7-8H,4-6H2,1-3H3
InChIKeyPOGKMEJQUXEXPT-UHFFFAOYSA-N
MW488.36 g/mol
LogP7.26
Rot. Bonds7

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

trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane (PubChem CID 14914234) has the molecular formula C15H17F13OSi and a molecular weight of 488.36 g/mol. Its IUPAC name is trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
PubChem CID14914234
Molecular FormulaC15H17F13OSi
Molecular Weight488.36 g/mol
Exact Mass488.08
IUPAC Nametrimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane
SMILESC[Si](C)(C)OC1=CCCCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F13OSi/c1-30(2,3)29-9-7-5-4-6-8(9)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7-8H,4-6H2,1-3H3
InChIKeyPOGKMEJQUXEXPT-UHFFFAOYSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.36
LogP ≤ 57.26
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-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane (CID 14914234) is trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane is C[Si](C)(C)OC1=CCCCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane?
The InChIKey is POGKMEJQUXEXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F13OSi/c1-30(2,3)29-9-7-5-4-6-8(9)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7-8H,4-6H2,1-3H3.
What are the key properties of trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane?
trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane has a molecular weight of 488.36 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 14914234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).