1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one

C13H22OSi2 — CID 14976474

IUPAC1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one
SMILESC[Si](C)(C)C#CCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi2/c1-15(2,3)11-8-7-9-13(14)10-12-16(4,5)6/h7,9H2,1-6H3
InChIKeySBUUEVTZTSTRAW-UHFFFAOYSA-N
MW250.49 g/mol
LogP3.10
Rot. Bonds2

About 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one

1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one (PubChem CID 14976474) has the molecular formula C13H22OSi2 and a molecular weight of 250.49 g/mol. Its IUPAC name is 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one.

Molecular Properties

Compound Name1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one
PubChem CID14976474
Molecular FormulaC13H22OSi2
Molecular Weight250.49 g/mol
Exact Mass250.12
IUPAC Name1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one
SMILESC[Si](C)(C)C#CCCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi2/c1-15(2,3)11-8-7-9-13(14)10-12-16(4,5)6/h7,9H2,1-6H3
InChIKeySBUUEVTZTSTRAW-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
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-(Trimethylsilyl)hex-1-yn-3-one
CID 337061
1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-one
CID 10857069
1-(Trimethylsilyl)-1-octyn-3-one
CID 10954493
6-(Trimethylsilyl)hex-5-yn-2-one
CID 11182860
1-(Trimethylsilyl)pent-1-yn-3-one
CID 12529653
1-Trimethylsilylpentan-2-one
CID 12457306
1-(triisopropylsilyl)-5-(triMethylsilyl)-1,4-dipentayne-3-one
CID 14937074
1,8-Bis(trimethylsilyl)octa-1,7-diyn-3-one
CID 101514006
1-Heptyn-3-one, 1-(trimethylsilyl)-
CID 11019511
3-Pentanone, 1,5-bis(trimethylsilyl)-
CID 11481640
4-(Triisopropylsilyl)but-3-yn-2-one
CID 11708389
5-(Trimethylsilyl)-2-pentanone
CID 575386

Frequently Asked Questions

What is the IUPAC name of 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one?
The IUPAC name of 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one (CID 14976474) is 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one.
What is the SMILES notation for 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one?
The canonical SMILES for 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one is C[Si](C)(C)C#CCCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one?
The InChIKey is SBUUEVTZTSTRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi2/c1-15(2,3)11-8-7-9-13(14)10-12-16(4,5)6/h7,9H2,1-6H3.
What are the key properties of 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one?
1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one has a molecular weight of 250.49 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(trimethylsilyl)hepta-1,6-diyn-3-one is sourced from PubChem (CID 14976474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).