trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane

C20H41F3O4Si — CID 19770320

IUPACtrimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane
SMILESCO[Si](CCCCCCCCCCCCCCCOC(F)C(F)F)(OC)OC
InChIInChI=1S/C20H41F3O4Si/c1-24-28(25-2,26-3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-20(23)19(21)22/h19-20H,4-18H2,1-3H3
InChIKeyQULRZUOGLHJJPY-UHFFFAOYSA-N
MW430.62 g/mol
LogP6.51
Rot. Bonds21

About trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane

trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane (PubChem CID 19770320) has the molecular formula C20H41F3O4Si and a molecular weight of 430.62 g/mol. Its IUPAC name is trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane.

Molecular Properties

Compound Nametrimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane
PubChem CID19770320
Molecular FormulaC20H41F3O4Si
Molecular Weight430.62 g/mol
Exact Mass430.27
IUPAC Nametrimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane
SMILESCO[Si](CCCCCCCCCCCCCCCOC(F)C(F)F)(OC)OC
InChIInChI=1S/C20H41F3O4Si/c1-24-28(25-2,26-3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-20(23)19(21)22/h19-20H,4-18H2,1-3H3
InChIKeyQULRZUOGLHJJPY-UHFFFAOYSA-N
XLogP6.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(3-((8-Methoxyoctyl)oxy)propyl)-1,1,1,3,5,5,5-heptamethyltrisiloxane
CID 60196421
Triethoxy[3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy]propyl]silane
CID 18466366
12-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]-12-[3-[(perfluoroheptyl)methoxy]propyl]-2,5,8,11,13,16,19,22-octaoxa-12-silatricosane
CID 162396566
9-[2-(2-Methoxyethoxy)ethoxy]-9-[3-[(perfluoroheptyl)methoxy]propyl]-2,5,8,10,13,16-hexaoxa-9-silaheptadecane
CID 162396630
Trimethoxy-{3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-oxy]-propyl}-silane
CID 19733902
Dodecafluoroheptylpropyltrimethoxysilane
CID 122197693
Methoxy-{3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-oxy]-propyl}-silane
CID 129819305
Trimethoxy-[2-[3-(17,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
CID 17986845
Trimethoxy-[1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
CID 19737008
15-[Diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate
CID 19770314
Hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane
CID 19771209
Trimethoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
CID 21335547

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane?
The IUPAC name of trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane (CID 19770320) is trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane.
What is the SMILES notation for trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane?
The canonical SMILES for trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane is CO[Si](CCCCCCCCCCCCCCCOC(F)C(F)F)(OC)OC.
What is the InChIKey of trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane?
The InChIKey is QULRZUOGLHJJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41F3O4Si/c1-24-28(25-2,26-3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-20(23)19(21)22/h19-20H,4-18H2,1-3H3.
What are the key properties of trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane?
trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane has a molecular weight of 430.62 g/mol, XLogP of 6.51, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane is sourced from PubChem (CID 19770320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).