3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol

C12H19F3OSi2 — CID 15811709

IUPAC3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
SMILESC[Si](C)(C)C#CC(O)(C#C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C12H19F3OSi2/c1-17(2,3)9-7-11(16,12(13,14)15)8-10-18(4,5)6/h16H,1-6H3
InChIKeyJPBRVTSPQGGQGC-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.04
Rot. Bonds

About 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol

3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol (PubChem CID 15811709) has the molecular formula C12H19F3OSi2 and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
PubChem CID15811709
Molecular FormulaC12H19F3OSi2
Molecular Weight292.45 g/mol
Exact Mass292.09
IUPAC Name3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
SMILESC[Si](C)(C)C#CC(O)(C#C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C12H19F3OSi2/c1-17(2,3)9-7-11(16,12(13,14)15)8-10-18(4,5)6/h16H,1-6H3
InChIKeyJPBRVTSPQGGQGC-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.04
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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Related Compounds

1,1,1-Trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol
CID 22714288
1,1,1-Trifluoro-2-methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 59774880
3-Trifluoromethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 59774905
Fluoro-2-methyl-4-triethylsilyl-but-3-yn-2-ol
CID 86693093
1,1-Difluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 168233844
1,1,1-Trifluoro-3-(trimethylsilyl)-2-[(trimethylsilyl)methyl]propan-2-ol
CID 13168541
3,3-Difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
CID 15495758
(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 124635877
(2S)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 124635878

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol?
The IUPAC name of 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol (CID 15811709) is 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol?
The canonical SMILES for 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol is C[Si](C)(C)C#CC(O)(C#C[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol?
The InChIKey is JPBRVTSPQGGQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3OSi2/c1-17(2,3)9-7-11(16,12(13,14)15)8-10-18(4,5)6/h16H,1-6H3.
What are the key properties of 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol?
3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol has a molecular weight of 292.45 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol is sourced from PubChem (CID 15811709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).