tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane

C18H29F3O3Si — CID 90171416

IUPACtri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
SMILESCC(C)O[Si](CCCc1cc(F)c(F)cc1F)(OC(C)C)OC(C)C
InChIInChI=1S/C18H29F3O3Si/c1-12(2)22-25(23-13(3)4,24-14(5)6)9-7-8-15-10-17(20)18(21)11-16(15)19/h10-14H,7-9H2,1-6H3
InChIKeyBKUIWHOFCCCQNM-UHFFFAOYSA-N
MW378.51 g/mol
LogP5.25
Rot. Bonds10

About tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane

tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane (PubChem CID 90171416) has the molecular formula C18H29F3O3Si and a molecular weight of 378.51 g/mol. Its IUPAC name is tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane.

Molecular Properties

Compound Nametri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
PubChem CID90171416
Molecular FormulaC18H29F3O3Si
Molecular Weight378.51 g/mol
Exact Mass378.18
IUPAC Nametri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
SMILESCC(C)O[Si](CCCc1cc(F)c(F)cc1F)(OC(C)C)OC(C)C
InChIInChI=1S/C18H29F3O3Si/c1-12(2)22-25(23-13(3)4,24-14(5)6)9-7-8-15-10-17(20)18(21)11-16(15)19/h10-14H,7-9H2,1-6H3
InChIKeyBKUIWHOFCCCQNM-UHFFFAOYSA-N
XLogP5.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane?
The IUPAC name of tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane (CID 90171416) is tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane.
What is the SMILES notation for tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane?
The canonical SMILES for tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane is CC(C)O[Si](CCCc1cc(F)c(F)cc1F)(OC(C)C)OC(C)C.
What is the InChIKey of tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane?
The InChIKey is BKUIWHOFCCCQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3O3Si/c1-12(2)22-25(23-13(3)4,24-14(5)6)9-7-8-15-10-17(20)18(21)11-16(15)19/h10-14H,7-9H2,1-6H3.
What are the key properties of tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane?
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane has a molecular weight of 378.51 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane is sourced from PubChem (CID 90171416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).