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

C16H23F5OSi — CID 91697485

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane
SMILESCCCC(CCC)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H23F5OSi/c1-5-7-10(8-6-2)9-22-23(3,4)16-14(20)12(18)11(17)13(19)15(16)21/h10H,5-9H2,1-4H3
InChIKeyVXUXLZOPPMNTKB-UHFFFAOYSA-N
MW354.44 g/mol
LogP5.03
Rot. Bonds8

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

dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane (PubChem CID 91697485) has the molecular formula C16H23F5OSi and a molecular weight of 354.44 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane
PubChem CID91697485
Molecular FormulaC16H23F5OSi
Molecular Weight354.44 g/mol
Exact Mass354.14
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane
SMILESCCCC(CCC)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H23F5OSi/c1-5-7-10(8-6-2)9-22-23(3,4)16-14(20)12(18)11(17)13(19)15(16)21/h10H,5-9H2,1-4H3
InChIKeyVXUXLZOPPMNTKB-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 55.03
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-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane (CID 91697485) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane is CCCC(CCC)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane?
The InChIKey is VXUXLZOPPMNTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F5OSi/c1-5-7-10(8-6-2)9-22-23(3,4)16-14(20)12(18)11(17)13(19)15(16)21/h10H,5-9H2,1-4H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane has a molecular weight of 354.44 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propylpentoxy)silane is sourced from PubChem (CID 91697485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).