ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane

C14H29F3O2Si — CID 172724919

IUPACethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane
SMILESCCCCCCCC[Si](CC)(OCC)OCC(F)(F)F
InChIInChI=1S/C14H29F3O2Si/c1-4-7-8-9-10-11-12-20(6-3,18-5-2)19-13-14(15,16)17/h4-13H2,1-3H3
InChIKeyHABRMAAPJZMTGY-UHFFFAOYSA-N
MW314.46 g/mol
LogP5.42
Rot. Bonds12

About ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane

ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane (PubChem CID 172724919) has the molecular formula C14H29F3O2Si and a molecular weight of 314.46 g/mol. Its IUPAC name is ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane.

Molecular Properties

Compound Nameethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane
PubChem CID172724919
Molecular FormulaC14H29F3O2Si
Molecular Weight314.46 g/mol
Exact Mass314.19
IUPAC Nameethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane
SMILESCCCCCCCC[Si](CC)(OCC)OCC(F)(F)F
InChIInChI=1S/C14H29F3O2Si/c1-4-7-8-9-10-11-12-20(6-3,18-5-2)19-13-14(15,16)17/h4-13H2,1-3H3
InChIKeyHABRMAAPJZMTGY-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

diethoxy-ethyl-tetradecylsilane
CID 139614055
diethoxy-ethyl-hexacosylsilane
CID 153322873
diethoxy-heptadecyl-pentadecylsilane
CID 139614360
diethoxy-hexadecyl-tridecylsilane
CID 139614117
diethoxy-icosyl-undecylsilane
CID 139614143
decyl-diethoxy-tridecylsilane
CID 139614334
butyl-diethoxy-tetradecylsilane
CID 139614088
diethoxy-nonyl-propylsilane
CID 139614051
3-[diethoxy(ethyl)silyl]propyl-diethoxy-ethylsilane
CID 20761011
ethyl-hexadecyl-dipropoxysilane
CID 22228686
butoxy-ethoxy-dioctylsilane
CID 89350080
12-[diethoxy(ethyl)silyl]dodecane-1-thiol
CID 87831762

Frequently Asked Questions

What is the IUPAC name of ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane?
The IUPAC name of ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane (CID 172724919) is ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane.
What is the SMILES notation for ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane?
The canonical SMILES for ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane is CCCCCCCC[Si](CC)(OCC)OCC(F)(F)F.
What is the InChIKey of ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane?
The InChIKey is HABRMAAPJZMTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3O2Si/c1-4-7-8-9-10-11-12-20(6-3,18-5-2)19-13-14(15,16)17/h4-13H2,1-3H3.
What are the key properties of ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane?
ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane has a molecular weight of 314.46 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethyl-octyl-(2,2,2-trifluoroethoxy)silane is sourced from PubChem (CID 172724919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).