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

C14H19F5OSi — CID 91740050

IUPACdimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC(C)CC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H19F5OSi/c1-7(2)6-8(3)20-21(4,5)14-12(18)10(16)9(15)11(17)13(14)19/h7-8H,6H2,1-5H3
InChIKeyXEVISVFZCLCTMA-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.25
Rot. Bonds5

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

dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91740050) has the molecular formula C14H19F5OSi and a molecular weight of 326.38 g/mol. Its IUPAC name is dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91740050
Molecular FormulaC14H19F5OSi
Molecular Weight326.38 g/mol
Exact Mass326.11
IUPAC Namedimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC(C)CC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H19F5OSi/c1-7(2)6-8(3)20-21(4,5)14-12(18)10(16)9(15)11(17)13(14)19/h7-8H,6H2,1-5H3
InChIKeyXEVISVFZCLCTMA-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane (CID 91740050) is dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane is CC(C)CC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is XEVISVFZCLCTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F5OSi/c1-7(2)6-8(3)20-21(4,5)14-12(18)10(16)9(15)11(17)13(14)19/h7-8H,6H2,1-5H3.
What are the key properties of dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 326.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylpentan-2-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91740050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).