dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane

C15H18F16O3Si — CID 141219356

IUPACdimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane
SMILESCCC[Si](OC)(OC)OCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H18F16O3Si/c1-5-6-35(32-3,33-4)34-7-9(17,14(26,27)28)12(22,23)13(24,25)10(18,19)8(2,16)11(20,21)15(29,30)31/h5-7H2,1-4H3
InChIKeyDYBDOCMGYURHRO-UHFFFAOYSA-N
MW578.36 g/mol
LogP6.75
Rot. Bonds12

About dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane

dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane (PubChem CID 141219356) has the molecular formula C15H18F16O3Si and a molecular weight of 578.36 g/mol. Its IUPAC name is dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane.

Molecular Properties

Compound Namedimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane
PubChem CID141219356
Molecular FormulaC15H18F16O3Si
Molecular Weight578.36 g/mol
Exact Mass578.08
IUPAC Namedimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane
SMILESCCC[Si](OC)(OC)OCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H18F16O3Si/c1-5-6-35(32-3,33-4)34-7-9(17,14(26,27)28)12(22,23)13(24,25)10(18,19)8(2,16)11(20,21)15(29,30)31/h5-7H2,1-4H3
InChIKeyDYBDOCMGYURHRO-UHFFFAOYSA-N
XLogP6.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.36
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane?
The IUPAC name of dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane (CID 141219356) is dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane.
What is the SMILES notation for dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane?
The canonical SMILES for dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane is CCC[Si](OC)(OC)OCC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane?
The InChIKey is DYBDOCMGYURHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F16O3Si/c1-5-6-35(32-3,33-4)34-7-9(17,14(26,27)28)12(22,23)13(24,25)10(18,19)8(2,16)11(20,21)15(29,30)31/h5-7H2,1-4H3.
What are the key properties of dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane?
dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane has a molecular weight of 578.36 g/mol, XLogP of 6.75, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-propyl-[2,3,3,4,4,5,5,6,7,7,8,8,8-tridecafluoro-6-methyl-2-(trifluoromethyl)octoxy]silane is sourced from PubChem (CID 141219356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).