triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane

C24H42F4OSi2 — CID 173235628

IUPACtriethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane
SMILESCCCCCC[Si](CCC[Si](CC)(CC)CC)(Oc1c(F)c(F)cc(F)c1F)C(C)C
InChIInChI=1S/C24H42F4OSi2/c1-7-11-12-13-16-31(19(5)6,17-14-15-30(8-2,9-3)10-4)29-24-22(27)20(25)18-21(26)23(24)28/h18-19H,7-17H2,1-6H3
InChIKeyOBJYENMDMZRAMT-UHFFFAOYSA-N
MW478.76 g/mol
LogP9.46
Rot. Bonds15

About triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane

triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane (PubChem CID 173235628) has the molecular formula C24H42F4OSi2 and a molecular weight of 478.76 g/mol. Its IUPAC name is triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane.

Molecular Properties

Compound Nametriethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane
PubChem CID173235628
Molecular FormulaC24H42F4OSi2
Molecular Weight478.76 g/mol
Exact Mass478.27
IUPAC Nametriethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane
SMILESCCCCCC[Si](CCC[Si](CC)(CC)CC)(Oc1c(F)c(F)cc(F)c1F)C(C)C
InChIInChI=1S/C24H42F4OSi2/c1-7-11-12-13-16-31(19(5)6,17-14-15-30(8-2,9-3)10-4)29-24-22(27)20(25)18-21(26)23(24)28/h18-19H,7-17H2,1-6H3
InChIKeyOBJYENMDMZRAMT-UHFFFAOYSA-N
XLogP9.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[2-[octyl-(2,3,4,5,6-pentafluorophenoxy)-propan-2-ylsilyl]ethyl]silane
CID 141045221
triethyl-[2-[nonyl-propan-2-yl-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silyl]ethyl]silane
CID 141045117
triethyl(octacosyl)silane
CID 173084780
triethyl-[[(5-fluoronaphthalen-1-yl)oxy-propan-2-yl-(6-tripropylsilylhexyl)silyl]methyl]silane
CID 173235344
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
triethyl(7-triethylsilylheptyl)silane
CID 174191086
cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane
CID 173235630
cyclohexyl-[8-[diethyl(methyl)silyl]octyl]-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)oxy-propan-2-ylsilane
CID 173235717
(2,3,5,6-tetrafluorophenyl) 3-hydroxyhexadecanoate
CID 177191744
cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane
CID 173235715
butyl-dihexyl-octylsilane
CID 168803297

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane?
The IUPAC name of triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane (CID 173235628) is triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane.
What is the SMILES notation for triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane?
The canonical SMILES for triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane is CCCCCC[Si](CCC[Si](CC)(CC)CC)(Oc1c(F)c(F)cc(F)c1F)C(C)C.
What is the InChIKey of triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane?
The InChIKey is OBJYENMDMZRAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F4OSi2/c1-7-11-12-13-16-31(19(5)6,17-14-15-30(8-2,9-3)10-4)29-24-22(27)20(25)18-21(26)23(24)28/h18-19H,7-17H2,1-6H3.
What are the key properties of triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane?
triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane has a molecular weight of 478.76 g/mol, XLogP of 9.46, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-[hexyl-propan-2-yl-(2,3,5,6-tetrafluorophenoxy)silyl]propyl]silane is sourced from PubChem (CID 173235628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).