diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane

C19H39F3O3Si — CID 175013519

IUPACdiethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane
SMILESCCO[Si](CC)(OCC)OC(CC(F)(F)F)(C(C)C)C(C(C)C)C(C)C
InChIInChI=1S/C19H39F3O3Si/c1-10-23-26(12-3,24-11-2)25-18(16(8)9,13-19(20,21)22)17(14(4)5)15(6)7/h14-17H,10-13H2,1-9H3
InChIKeyIVMFKYYSAQUCCK-UHFFFAOYSA-N
MW400.60 g/mol
LogP6.31
Rot. Bonds12

About diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane

diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane (PubChem CID 175013519) has the molecular formula C19H39F3O3Si and a molecular weight of 400.60 g/mol. Its IUPAC name is diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane.

Molecular Properties

Compound Namediethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane
PubChem CID175013519
Molecular FormulaC19H39F3O3Si
Molecular Weight400.60 g/mol
Exact Mass400.26
IUPAC Namediethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane
SMILESCCO[Si](CC)(OCC)OC(CC(F)(F)F)(C(C)C)C(C(C)C)C(C)C
InChIInChI=1S/C19H39F3O3Si/c1-10-23-26(12-3,24-11-2)25-18(16(8)9,13-19(20,21)22)17(14(4)5)15(6)7/h14-17H,10-13H2,1-9H3
InChIKeyIVMFKYYSAQUCCK-UHFFFAOYSA-N
XLogP6.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.60
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane?
The IUPAC name of diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane (CID 175013519) is diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane.
What is the SMILES notation for diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane?
The canonical SMILES for diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane is CCO[Si](CC)(OCC)OC(CC(F)(F)F)(C(C)C)C(C(C)C)C(C)C.
What is the InChIKey of diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane?
The InChIKey is IVMFKYYSAQUCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39F3O3Si/c1-10-23-26(12-3,24-11-2)25-18(16(8)9,13-19(20,21)22)17(14(4)5)15(6)7/h14-17H,10-13H2,1-9H3.
What are the key properties of diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane?
diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane has a molecular weight of 400.60 g/mol, XLogP of 6.31, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethyl-[1,1,1-trifluoro-5-methyl-3,4-di(propan-2-yl)hexan-3-yl]oxysilane is sourced from PubChem (CID 175013519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).