dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane

C11H17F9OSi — CID 89420830

IUPACdimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C11H17F9OSi/c1-7(2)21-22(3,4)11(19,20)10(17,18)8(12,13)5-6-9(14,15)16/h7H,5-6H2,1-4H3
InChIKeyQKVZRZQDEQZRDO-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.40
Rot. Bonds7

About dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane

dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane (PubChem CID 89420830) has the molecular formula C11H17F9OSi and a molecular weight of 364.32 g/mol. Its IUPAC name is dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane.

Molecular Properties

Compound Namedimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane
PubChem CID89420830
Molecular FormulaC11H17F9OSi
Molecular Weight364.32 g/mol
Exact Mass364.09
IUPAC Namedimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C11H17F9OSi/c1-7(2)21-22(3,4)11(19,20)10(17,18)8(12,13)5-6-9(14,15)16/h7H,5-6H2,1-4H3
InChIKeyQKVZRZQDEQZRDO-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.40
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 dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane?
The IUPAC name of dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane (CID 89420830) is dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane.
What is the SMILES notation for dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane?
The canonical SMILES for dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane is CC(C)O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane?
The InChIKey is QKVZRZQDEQZRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F9OSi/c1-7(2)21-22(3,4)11(19,20)10(17,18)8(12,13)5-6-9(14,15)16/h7H,5-6H2,1-4H3.
What are the key properties of dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane?
dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane has a molecular weight of 364.32 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane is sourced from PubChem (CID 89420830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).