triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane

C17H25F13O3Si — CID 175013915

IUPACtriethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)C(F)(F)C(F)(F)C(C)(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C17H25F13O3Si/c1-5-31-34(32-6-2,33-7-3)14(25)16(27,28)17(29,30)15(4,26)12(22)10(20)8(18)9(19)11(21)13(23)24/h8-14H,5-7H2,1-4H3
InChIKeyDSBMIWANYUFDIO-UHFFFAOYSA-N
MW552.44 g/mol
LogP5.87
Rot. Bonds16

About triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane

triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane (PubChem CID 175013915) has the molecular formula C17H25F13O3Si and a molecular weight of 552.44 g/mol. Its IUPAC name is triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane.

Molecular Properties

Compound Nametriethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane
PubChem CID175013915
Molecular FormulaC17H25F13O3Si
Molecular Weight552.44 g/mol
Exact Mass552.14
IUPAC Nametriethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)C(F)(F)C(F)(F)C(C)(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C17H25F13O3Si/c1-5-31-34(32-6-2,33-7-3)14(25)16(27,28)17(29,30)15(4,26)12(22)10(20)8(18)9(19)11(21)13(23)24/h8-14H,5-7H2,1-4H3
InChIKeyDSBMIWANYUFDIO-UHFFFAOYSA-N
XLogP5.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.44
LogP ≤ 55.87
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 triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane?
The IUPAC name of triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane (CID 175013915) is triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane.
What is the SMILES notation for triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane?
The canonical SMILES for triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane is CCO[Si](OCC)(OCC)C(F)C(F)(F)C(F)(F)C(C)(F)C(F)C(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane?
The InChIKey is DSBMIWANYUFDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F13O3Si/c1-5-31-34(32-6-2,33-7-3)14(25)16(27,28)17(29,30)15(4,26)12(22)10(20)8(18)9(19)11(21)13(23)24/h8-14H,5-7H2,1-4H3.
What are the key properties of triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane?
triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane has a molecular weight of 552.44 g/mol, XLogP of 5.87, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(1,2,2,3,3,4,5,6,7,8,9,10,10-tridecafluoro-4-methyldecyl)silane is sourced from PubChem (CID 175013915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).