trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane

C20H27F3Si2 — CID 53310772

IUPACtrimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane
SMILESC/C=C(\C#C/C(=C\c1ccc(C(F)(F)F)cc1)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H27F3Si2/c1-8-18(24(2,3)4)13-14-19(25(5,6)7)15-16-9-11-17(12-10-16)20(21,22)23/h8-12,15H,1-7H3/b18-8+,19-15+
InChIKeyKAVVMUIREBUNBT-OSJOWCBESA-N
MW380.60 g/mol
LogP6.79
Rot. Bonds3

About trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane

trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane (PubChem CID 53310772) has the molecular formula C20H27F3Si2 and a molecular weight of 380.60 g/mol. Its IUPAC name is trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane
PubChem CID53310772
Molecular FormulaC20H27F3Si2
Molecular Weight380.60 g/mol
Exact Mass380.16
IUPAC Nametrimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane
SMILESC/C=C(\C#C/C(=C\c1ccc(C(F)(F)F)cc1)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H27F3Si2/c1-8-18(24(2,3)4)13-14-19(25(5,6)7)15-16-9-11-17(12-10-16)20(21,22)23/h8-12,15H,1-7H3/b18-8+,19-15+
InChIKeyKAVVMUIREBUNBT-OSJOWCBESA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane?
The IUPAC name of trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane (CID 53310772) is trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane.
What is the SMILES notation for trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane?
The canonical SMILES for trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane is C/C=C(\C#C/C(=C\c1ccc(C(F)(F)F)cc1)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane?
The InChIKey is KAVVMUIREBUNBT-OSJOWCBESA-N. The full InChI is InChI=1S/C20H27F3Si2/c1-8-18(24(2,3)4)13-14-19(25(5,6)7)15-16-9-11-17(12-10-16)20(21,22)23/h8-12,15H,1-7H3/b18-8+,19-15+.
What are the key properties of trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane?
trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane has a molecular weight of 380.60 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane is sourced from PubChem (CID 53310772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).