diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane

C16H21F5O3Si — CID 90171536

IUPACdiethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane
SMILESCCO[Si](O)(OCC)C1CCCC(c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C16H21F5O3Si/c1-3-23-25(22,24-4-2)10-7-5-6-9(8-10)11-12(17)14(19)16(21)15(20)13(11)18/h9-10,22H,3-8H2,1-2H3
InChIKeyJZTQGBRWVHVKRC-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.41
Rot. Bonds6

About diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane

diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane (PubChem CID 90171536) has the molecular formula C16H21F5O3Si and a molecular weight of 384.42 g/mol. Its IUPAC name is diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane.

Molecular Properties

Compound Namediethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane
PubChem CID90171536
Molecular FormulaC16H21F5O3Si
Molecular Weight384.42 g/mol
Exact Mass384.12
IUPAC Namediethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane
SMILESCCO[Si](O)(OCC)C1CCCC(c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C16H21F5O3Si/c1-3-23-25(22,24-4-2)10-7-5-6-9(8-10)11-12(17)14(19)16(21)15(20)13(11)18/h9-10,22H,3-8H2,1-2H3
InChIKeyJZTQGBRWVHVKRC-UHFFFAOYSA-N
XLogP4.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane?
The IUPAC name of diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane (CID 90171536) is diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane.
What is the SMILES notation for diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane?
The canonical SMILES for diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane is CCO[Si](O)(OCC)C1CCCC(c2c(F)c(F)c(F)c(F)c2F)C1.
What is the InChIKey of diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane?
The InChIKey is JZTQGBRWVHVKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F5O3Si/c1-3-23-25(22,24-4-2)10-7-5-6-9(8-10)11-12(17)14(19)16(21)15(20)13(11)18/h9-10,22H,3-8H2,1-2H3.
What are the key properties of diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane?
diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane has a molecular weight of 384.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-[3-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]silane is sourced from PubChem (CID 90171536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).