2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane

C13H18F12O3Si — CID 122197693

IUPAC2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane
SMILESCCC[Si](OC)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C13H18F12O3Si/c1-4-5-29(26-2,27-3)28-7-9(15,16)12(22,23)13(24,25)11(20,21)8(14)6-10(17,18)19/h8H,4-7H2,1-3H3
InChIKeyLBTSNEJGMVFUEW-UHFFFAOYSA-N
MW478.35 g/mol
LogP5.48
Rot. Bonds12

About 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane

2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane (PubChem CID 122197693) has the molecular formula C13H18F12O3Si and a molecular weight of 478.35 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane
PubChem CID122197693
Molecular FormulaC13H18F12O3Si
Molecular Weight478.35 g/mol
Exact Mass478.08
IUPAC Name2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane
SMILESCCC[Si](OC)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C13H18F12O3Si/c1-4-5-29(26-2,27-3)28-7-9(15,16)12(22,23)13(24,25)11(20,21)8(14)6-10(17,18)19/h8H,4-7H2,1-3H3
InChIKeyLBTSNEJGMVFUEW-UHFFFAOYSA-N
XLogP5.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 55.48
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 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane (CID 122197693) is 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane is CCC[Si](OC)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane?
The InChIKey is LBTSNEJGMVFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F12O3Si/c1-4-5-29(26-2,27-3)28-7-9(15,16)12(22,23)13(24,25)11(20,21)8(14)6-10(17,18)19/h8H,4-7H2,1-3H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane?
2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane has a molecular weight of 478.35 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctoxy-dimethoxy-propylsilane is sourced from PubChem (CID 122197693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).