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

C20H33F3O3Si — CID 90172630

IUPACtri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
SMILESCC(C)O[Si](CCCCCc1cc(F)c(F)c(F)c1)(OC(C)C)OC(C)C
InChIInChI=1S/C20H33F3O3Si/c1-14(2)24-27(25-15(3)4,26-16(5)6)11-9-7-8-10-17-12-18(21)20(23)19(22)13-17/h12-16H,7-11H2,1-6H3
InChIKeyZZTVTLGUZFFSRB-UHFFFAOYSA-N
MW406.56 g/mol
LogP6.03
Rot. Bonds12

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

tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane (PubChem CID 90172630) has the molecular formula C20H33F3O3Si and a molecular weight of 406.56 g/mol. Its IUPAC name is tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane.

Molecular Properties

Compound Nametri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
PubChem CID90172630
Molecular FormulaC20H33F3O3Si
Molecular Weight406.56 g/mol
Exact Mass406.22
IUPAC Nametri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
SMILESCC(C)O[Si](CCCCCc1cc(F)c(F)c(F)c1)(OC(C)C)OC(C)C
InChIInChI=1S/C20H33F3O3Si/c1-14(2)24-27(25-15(3)4,26-16(5)6)11-9-7-8-10-17-12-18(21)20(23)19(22)13-17/h12-16H,7-11H2,1-6H3
InChIKeyZZTVTLGUZFFSRB-UHFFFAOYSA-N
XLogP6.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
CID 90173436
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane
CID 102097840
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90175181
6-(3,4,5-trifluorophenyl)hexan-1-ol
CID 174855228
1,2,3-trifluoro-5-(8,8,8-triethoxy-7-methyloctyl)benzene
CID 150840660
8-tri(propan-2-yloxy)silyloctane-1-thiol
CID 151398463

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane?
The IUPAC name of tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane (CID 90172630) is tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane.
What is the SMILES notation for tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane?
The canonical SMILES for tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane is CC(C)O[Si](CCCCCc1cc(F)c(F)c(F)c1)(OC(C)C)OC(C)C.
What is the InChIKey of tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane?
The InChIKey is ZZTVTLGUZFFSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F3O3Si/c1-14(2)24-27(25-15(3)4,26-16(5)6)11-9-7-8-10-17-12-18(21)20(23)19(22)13-17/h12-16H,7-11H2,1-6H3.
What are the key properties of tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane?
tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane has a molecular weight of 406.56 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane is sourced from PubChem (CID 90172630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).