dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane

C13H17F5OSi — CID 91740017

IUPACdimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC(C)C(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5OSi/c1-6(2)7(3)19-20(4,5)13-11(17)9(15)8(14)10(16)12(13)18/h6-7H,1-5H3
InChIKeyJECCJUNCTQZAER-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.86
Rot. Bonds4

About dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane

dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91740017) has the molecular formula C13H17F5OSi and a molecular weight of 312.35 g/mol. Its IUPAC name is dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91740017
Molecular FormulaC13H17F5OSi
Molecular Weight312.35 g/mol
Exact Mass312.10
IUPAC Namedimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC(C)C(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5OSi/c1-6(2)7(3)19-20(4,5)13-11(17)9(15)8(14)10(16)12(13)18/h6-7H,1-5H3
InChIKeyJECCJUNCTQZAER-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

(Triethoxysilyl)pentafluorobenzene
CID 2782625
1-Dimethyl(pentafluorophenyl)silyloxypropane
CID 523425
Pentafluorophenylethoxydimethylsilane
CID 523441
Silane, methoxydimethyl(pentafluorophenyl)-
CID 523444
Ethenyl(diethoxy)(pentafluorophenyl)silane
CID 23523559
1-Dimethyl(pentafluorophenyl)silyloxybutane
CID 523424
2-Dimethyl(pentafluorophenyl)silyloxybutane
CID 523426
2-Dimethyl(pentafluorophenyl)silyloxypropane
CID 523428
3-Nonanol DMPFPS
CID 523429
3-Octanol DMPFPS
CID 523430
1-Dimethyl(pentafluorophenyl)silyloxycyclohexane
CID 523438
2-Methyl-1-dimethyl(pentafluorophenyl)silyloxypropane
CID 523443

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane (CID 91740017) is dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane is CC(C)C(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is JECCJUNCTQZAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5OSi/c1-6(2)7(3)19-20(4,5)13-11(17)9(15)8(14)10(16)12(13)18/h6-7H,1-5H3.
What are the key properties of dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 312.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-methylbutan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91740017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).