1,6-bis(trimethylsilyl)hex-5-yn-1-one

C12H24OSi2 — CID 101375060

IUPAC1,6-bis(trimethylsilyl)hex-5-yn-1-one
SMILESC[Si](C)(C)C#CCCCC(=O)[Si](C)(C)C
InChIInChI=1S/C12H24OSi2/c1-14(2,3)11-9-7-8-10-12(13)15(4,5)6/h7-8,10H2,1-6H3
InChIKeyOVXUODPXOJGGMJ-UHFFFAOYSA-N
MW240.49 g/mol
LogP3.48
Rot. Bonds4

About 1,6-bis(trimethylsilyl)hex-5-yn-1-one

1,6-bis(trimethylsilyl)hex-5-yn-1-one (PubChem CID 101375060) has the molecular formula C12H24OSi2 and a molecular weight of 240.49 g/mol. Its IUPAC name is 1,6-bis(trimethylsilyl)hex-5-yn-1-one.

Molecular Properties

Compound Name1,6-bis(trimethylsilyl)hex-5-yn-1-one
PubChem CID101375060
Molecular FormulaC12H24OSi2
Molecular Weight240.49 g/mol
Exact Mass240.14
IUPAC Name1,6-bis(trimethylsilyl)hex-5-yn-1-one
SMILESC[Si](C)(C)C#CCCCC(=O)[Si](C)(C)C
InChIInChI=1S/C12H24OSi2/c1-14(2,3)11-9-7-8-10-12(13)15(4,5)6/h7-8,10H2,1-6H3
InChIKeyOVXUODPXOJGGMJ-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.49
LogP ≤ 53.48
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)hex-1-yn-3-one
CID 337061
6-(Trimethylsilyl)hex-5-yn-2-one
CID 11182860
1,8-Bis(trimethylsilyl)octa-1,7-diyn-3-one
CID 101514006
1-Trimethylsilylhept-2-yn-1-one
CID 10866979
1-Heptyn-3-one, 1-(trimethylsilyl)-
CID 11019511
1-Tri(propan-2-yl)silylhex-5-yn-1-one
CID 11780006
Butyl trimethylsilyl ketone
CID 12829471
1,7-Bis(trimethylsilyl)hepta-1,6-diyn-3-one
CID 14976474
4,6-Bis(trimethylsilyl)hex-5-yn-2-one
CID 85895689
8-Triethylsilyl-1-trimethylsilylocta-5,7-diyn-2-one
CID 134997995
1-[Dimethyl(3-trimethylsilylprop-2-ynyl)silyl]propan-1-one
CID 166438503
Hept-6-ynoyl(trimethyl)silane
CID 642595

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(trimethylsilyl)hex-5-yn-1-one?
The IUPAC name of 1,6-bis(trimethylsilyl)hex-5-yn-1-one (CID 101375060) is 1,6-bis(trimethylsilyl)hex-5-yn-1-one.
What is the SMILES notation for 1,6-bis(trimethylsilyl)hex-5-yn-1-one?
The canonical SMILES for 1,6-bis(trimethylsilyl)hex-5-yn-1-one is C[Si](C)(C)C#CCCCC(=O)[Si](C)(C)C.
What is the InChIKey of 1,6-bis(trimethylsilyl)hex-5-yn-1-one?
The InChIKey is OVXUODPXOJGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi2/c1-14(2,3)11-9-7-8-10-12(13)15(4,5)6/h7-8,10H2,1-6H3.
What are the key properties of 1,6-bis(trimethylsilyl)hex-5-yn-1-one?
1,6-bis(trimethylsilyl)hex-5-yn-1-one has a molecular weight of 240.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(trimethylsilyl)hex-5-yn-1-one is sourced from PubChem (CID 101375060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).