methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane

C16H23F5O2Si — CID 123921118

IUPACmethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](C)(CCCc1c(F)c(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C16H23F5O2Si/c1-9(2)22-24(5,23-10(3)4)8-6-7-11-12(17)14(19)16(21)15(20)13(11)18/h9-10H,6-8H2,1-5H3
InChIKeyJDKHOHUDVRLBAH-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.24
Rot. Bonds8

About methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane

methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane (PubChem CID 123921118) has the molecular formula C16H23F5O2Si and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane.

Molecular Properties

Compound Namemethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane
PubChem CID123921118
Molecular FormulaC16H23F5O2Si
Molecular Weight370.43 g/mol
Exact Mass370.14
IUPAC Namemethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](C)(CCCc1c(F)c(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C16H23F5O2Si/c1-9(2)22-24(5,23-10(3)4)8-6-7-11-12(17)14(19)16(21)15(20)13(11)18/h9-10H,6-8H2,1-5H3
InChIKeyJDKHOHUDVRLBAH-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane?
The IUPAC name of methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane (CID 123921118) is methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane.
What is the SMILES notation for methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane?
The canonical SMILES for methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane is CC(C)O[Si](C)(CCCc1c(F)c(F)c(F)c(F)c1F)OC(C)C.
What is the InChIKey of methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane?
The InChIKey is JDKHOHUDVRLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F5O2Si/c1-9(2)22-24(5,23-10(3)4)8-6-7-11-12(17)14(19)16(21)15(20)13(11)18/h9-10H,6-8H2,1-5H3.
What are the key properties of methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane?
methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane has a molecular weight of 370.43 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane is sourced from PubChem (CID 123921118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).