(E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol

C12H19F3OSi — CID 10683051

IUPAC(E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol
SMILESCCCC(O)/C(C#C[Si](C)(C)C)=C/C(F)(F)F
InChIInChI=1S/C12H19F3OSi/c1-5-6-11(16)10(9-12(13,14)15)7-8-17(2,3)4/h9,11,16H,5-6H2,1-4H3/b10-9+
InChIKeyGJLNCXLCYBKVPX-MDZDMXLPSA-N
MW264.36 g/mol
LogP3.52
Rot. Bonds3

About (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol

(E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol (PubChem CID 10683051) has the molecular formula C12H19F3OSi and a molecular weight of 264.36 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol
PubChem CID10683051
Molecular FormulaC12H19F3OSi
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name(E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol
SMILESCCCC(O)/C(C#C[Si](C)(C)C)=C/C(F)(F)F
InChIInChI=1S/C12H19F3OSi/c1-5-6-11(16)10(9-12(13,14)15)7-8-17(2,3)4/h9,11,16H,5-6H2,1-4H3/b10-9+
InChIKeyGJLNCXLCYBKVPX-MDZDMXLPSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol?
The IUPAC name of (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol (CID 10683051) is (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol is CCCC(O)/C(C#C[Si](C)(C)C)=C/C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol?
The InChIKey is GJLNCXLCYBKVPX-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H19F3OSi/c1-5-6-11(16)10(9-12(13,14)15)7-8-17(2,3)4/h9,11,16H,5-6H2,1-4H3/b10-9+.
What are the key properties of (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol?
(E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol has a molecular weight of 264.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-3-(2-trimethylsilylethynyl)hept-2-en-4-ol is sourced from PubChem (CID 10683051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).