ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane

C13H17F5O4Si — CID 90173094

IUPACethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane
SMILESCCO[Si](CCCOc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C13H17F5O4Si/c1-4-22-23(19-2,20-3)7-5-6-21-13-11(17)9(15)8(14)10(16)12(13)18/h4-7H2,1-3H3
InChIKeyXMDDDVRIHIBWGF-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.42
Rot. Bonds9

About ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane

ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane (PubChem CID 90173094) has the molecular formula C13H17F5O4Si and a molecular weight of 360.35 g/mol. Its IUPAC name is ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane.

Molecular Properties

Compound Nameethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane
PubChem CID90173094
Molecular FormulaC13H17F5O4Si
Molecular Weight360.35 g/mol
Exact Mass360.08
IUPAC Nameethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane
SMILESCCO[Si](CCCOc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C13H17F5O4Si/c1-4-22-23(19-2,20-3)7-5-6-21-13-11(17)9(15)8(14)10(16)12(13)18/h4-7H2,1-3H3
InChIKeyXMDDDVRIHIBWGF-UHFFFAOYSA-N
XLogP3.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
CID 90173031
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
CID 90171901
[3-(2,3,4,5,6-pentafluorophenoxy)propyl-di(propanoyloxy)silyl] propanoate
CID 90172060
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
CID 175038998
ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
CID 90172834
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
CID 90171931
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
ethoxy-dimethoxy-(3-prop-1-enoxypropyl)silane
CID 141005054
triethoxy(3-methoxypropyl)silane
CID 22712922

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane?
The IUPAC name of ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane (CID 90173094) is ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane.
What is the SMILES notation for ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane?
The canonical SMILES for ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane is CCO[Si](CCCOc1c(F)c(F)c(F)c(F)c1F)(OC)OC.
What is the InChIKey of ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane?
The InChIKey is XMDDDVRIHIBWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5O4Si/c1-4-22-23(19-2,20-3)7-5-6-21-13-11(17)9(15)8(14)10(16)12(13)18/h4-7H2,1-3H3.
What are the key properties of ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane?
ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane has a molecular weight of 360.35 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane is sourced from PubChem (CID 90173094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).