1-tri(propan-2-yl)silyloct-1-yn-3-one

C17H32OSi — CID 11832837

IUPAC1-tri(propan-2-yl)silyloct-1-yn-3-one
SMILESCCCCCC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-8-9-10-11-17(18)12-13-19(14(2)3,15(4)5)16(6)7/h14-16H,8-11H2,1-7H3
InChIKeyGXFLIADQFHSCPQ-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.36
Rot. Bonds7

About 1-tri(propan-2-yl)silyloct-1-yn-3-one

1-tri(propan-2-yl)silyloct-1-yn-3-one (PubChem CID 11832837) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silyloct-1-yn-3-one.

Molecular Properties

Compound Name1-tri(propan-2-yl)silyloct-1-yn-3-one
PubChem CID11832837
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name1-tri(propan-2-yl)silyloct-1-yn-3-one
SMILESCCCCCC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-8-9-10-11-17(18)12-13-19(14(2)3,15(4)5)16(6)7/h14-16H,8-11H2,1-7H3
InChIKeyGXFLIADQFHSCPQ-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

1-(Trimethylsilyl)-1-octyn-3-one
CID 10954493
1-(Trimethylsilyl)undec-1-yn-3-one
CID 14798469
1,8-Bis(trimethylsilyl)octa-1,7-diyn-3-one
CID 101514006
1-Heptyn-3-one, 1-(trimethylsilyl)-
CID 11019511
7-Trimethylsilylhept-6-yn-3-one
CID 11401156
1-Trimethylsilyldec-1-yn-3-one
CID 11746290
8-Trimethylsilyltetradecan-7-one
CID 12524696
1-(Trimethylsilyl)heptan-2-one
CID 12716808
1-Tri(propan-2-yl)silylnon-1-yn-3-one
CID 85790402
1-[Tert-butyl(dimethyl)silyl]dodec-1-yn-3-one
CID 102442354
1-Trimethylsilyldodec-1-yn-3-one
CID 102442356
6-Methyldiethylsilyl-2-hexanone
CID 129807054

Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silyloct-1-yn-3-one?
The IUPAC name of 1-tri(propan-2-yl)silyloct-1-yn-3-one (CID 11832837) is 1-tri(propan-2-yl)silyloct-1-yn-3-one.
What is the SMILES notation for 1-tri(propan-2-yl)silyloct-1-yn-3-one?
The canonical SMILES for 1-tri(propan-2-yl)silyloct-1-yn-3-one is CCCCCC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silyloct-1-yn-3-one?
The InChIKey is GXFLIADQFHSCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-8-9-10-11-17(18)12-13-19(14(2)3,15(4)5)16(6)7/h14-16H,8-11H2,1-7H3.
What are the key properties of 1-tri(propan-2-yl)silyloct-1-yn-3-one?
1-tri(propan-2-yl)silyloct-1-yn-3-one has a molecular weight of 280.53 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silyloct-1-yn-3-one is sourced from PubChem (CID 11832837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).