1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane

C17H28F10O3Si — CID 156901116

IUPAC1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane
SMILESCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](OC)(OC)OC
InChIInChI=1S/C17H28F10O3Si/c1-5-6-7-8-9-10-11-12-13(18,19)14(20,21)15(22,23)16(24,25)17(26,27)31(28-2,29-3)30-4/h5-12H2,1-4H3
InChIKeyZNVYVNQIMYAEFK-UHFFFAOYSA-N
MW498.47 g/mol
LogP6.72
Rot. Bonds16

About 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane

1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane (PubChem CID 156901116) has the molecular formula C17H28F10O3Si and a molecular weight of 498.47 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane
PubChem CID156901116
Molecular FormulaC17H28F10O3Si
Molecular Weight498.47 g/mol
Exact Mass498.16
IUPAC Name1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane
SMILESCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](OC)(OC)OC
InChIInChI=1S/C17H28F10O3Si/c1-5-6-7-8-9-10-11-12-13(18,19)14(20,21)15(22,23)16(24,25)17(26,27)31(28-2,29-3)30-4/h5-12H2,1-4H3
InChIKeyZNVYVNQIMYAEFK-UHFFFAOYSA-N
XLogP6.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.47
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane (CID 156901116) is 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane is CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](OC)(OC)OC.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane?
The InChIKey is ZNVYVNQIMYAEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F10O3Si/c1-5-6-7-8-9-10-11-12-13(18,19)14(20,21)15(22,23)16(24,25)17(26,27)31(28-2,29-3)30-4/h5-12H2,1-4H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane?
1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane has a molecular weight of 498.47 g/mol, XLogP of 6.72, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane is sourced from PubChem (CID 156901116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).