tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane

C31H41F3O3Si — CID 14673142

IUPACtert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane
SMILESCC(C)(C)[Si](OC(CC#CCCCCC(F)(F)F)COC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H41F3O3Si/c1-30(2,3)38(27-18-10-7-11-19-27,28-20-12-8-13-21-28)37-26(25-36-29-22-14-16-24-35-29)17-9-5-4-6-15-23-31(32,33)34/h7-8,10-13,18-21,26,29H,4,6,14-17,22-25H2,1-3H3
InChIKeyQZAGWSZKUUNKSX-UHFFFAOYSA-N
MW546.75 g/mol
LogP6.99
Rot. Bonds11

About tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane

tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane (PubChem CID 14673142) has the molecular formula C31H41F3O3Si and a molecular weight of 546.75 g/mol. Its IUPAC name is tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane
PubChem CID14673142
Molecular FormulaC31H41F3O3Si
Molecular Weight546.75 g/mol
Exact Mass546.28
IUPAC Nametert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane
SMILESCC(C)(C)[Si](OC(CC#CCCCCC(F)(F)F)COC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H41F3O3Si/c1-30(2,3)38(27-18-10-7-11-19-27,28-20-12-8-13-21-28)37-26(25-36-29-22-14-16-24-35-29)17-9-5-4-6-15-23-31(32,33)34/h7-8,10-13,18-21,26,29H,4,6,14-17,22-25H2,1-3H3
InChIKeyQZAGWSZKUUNKSX-UHFFFAOYSA-N
XLogP6.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.75
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane (CID 14673142) is tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane is CC(C)(C)[Si](OC(CC#CCCCCC(F)(F)F)COC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane?
The InChIKey is QZAGWSZKUUNKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41F3O3Si/c1-30(2,3)38(27-18-10-7-11-19-27,28-20-12-8-13-21-28)37-26(25-36-29-22-14-16-24-35-29)17-9-5-4-6-15-23-31(32,33)34/h7-8,10-13,18-21,26,29H,4,6,14-17,22-25H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane?
tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane has a molecular weight of 546.75 g/mol, XLogP of 6.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane is sourced from PubChem (CID 14673142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).