chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane

C17H30ClF5O3Si4 — CID 151487854

IUPACchloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
SMILESC[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H30ClF5O3Si4/c1-27(2,24-29(5,6)26-30(7,8)25-28(3,4)18)11-9-10-12-13(19)15(21)17(23)16(22)14(12)20/h9-11H2,1-8H3
InChIKeyPNVJFAREOJSMIH-UHFFFAOYSA-N
MW525.21 g/mol
LogP6.91
Rot. Bonds10

About chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane

chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane (PubChem CID 151487854) has the molecular formula C17H30ClF5O3Si4 and a molecular weight of 525.21 g/mol. Its IUPAC name is chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Namechloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
PubChem CID151487854
Molecular FormulaC17H30ClF5O3Si4
Molecular Weight525.21 g/mol
Exact Mass524.09
IUPAC Namechloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
SMILESC[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H30ClF5O3Si4/c1-27(2,24-29(5,6)26-30(7,8)25-28(3,4)18)11-9-10-12-13(19)15(21)17(23)16(22)14(12)20/h9-11H2,1-8H3
InChIKeyPNVJFAREOJSMIH-UHFFFAOYSA-N
XLogP6.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.21
LogP ≤ 56.91
H-Bond Donors ≤ 50
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane (CID 151487854) is chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane is C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is PNVJFAREOJSMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClF5O3Si4/c1-27(2,24-29(5,6)26-30(7,8)25-28(3,4)18)11-9-10-12-13(19)15(21)17(23)16(22)14(12)20/h9-11H2,1-8H3.
What are the key properties of chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 525.21 g/mol, XLogP of 6.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[[[dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 151487854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).