tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane

C16H23F5O2Si — CID 18346510

IUPACtert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H23F5O2Si/c1-16(2,3)24(4,5)23-9-7-6-8-22-15-13(20)11(18)10(17)12(19)14(15)21/h6-9H2,1-5H3
InChIKeyUXJQOHORTMJWHM-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.56
Rot. Bonds7

About tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane

tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane (PubChem CID 18346510) has the molecular formula C16H23F5O2Si and a molecular weight of 370.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane
PubChem CID18346510
Molecular FormulaC16H23F5O2Si
Molecular Weight370.43 g/mol
Exact Mass370.14
IUPAC Nametert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H23F5O2Si/c1-16(2,3)24(4,5)23-9-7-6-8-22-15-13(20)11(18)10(17)12(19)14(15)21/h6-9H2,1-5H3
InChIKeyUXJQOHORTMJWHM-UHFFFAOYSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane (CID 18346510) is tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane is CC(C)(C)[Si](C)(C)OCCCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane?
The InChIKey is UXJQOHORTMJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F5O2Si/c1-16(2,3)24(4,5)23-9-7-6-8-22-15-13(20)11(18)10(17)12(19)14(15)21/h6-9H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane?
tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane has a molecular weight of 370.43 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane is sourced from PubChem (CID 18346510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).