8-trimethylsilyloct-7-ynal

C11H20OSi — CID 24795453

IUPAC8-trimethylsilyloct-7-ynal
SMILESC[Si](C)(C)C#CCCCCCC=O
InChIInChI=1S/C11H20OSi/c1-13(2,3)11-9-7-5-4-6-8-10-12/h10H,4-8H2,1-3H3
InChIKeyUCHWACMMPXJEJJ-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.02
Rot. Bonds5

About 8-trimethylsilyloct-7-ynal

8-trimethylsilyloct-7-ynal (PubChem CID 24795453) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 8-trimethylsilyloct-7-ynal.

Molecular Properties

Compound Name8-trimethylsilyloct-7-ynal
PubChem CID24795453
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name8-trimethylsilyloct-7-ynal
SMILESC[Si](C)(C)C#CCCCCCC=O
InChIInChI=1S/C11H20OSi/c1-13(2,3)11-9-7-5-4-6-8-10-12/h10H,4-8H2,1-3H3
InChIKeyUCHWACMMPXJEJJ-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 8-trimethylsilyloct-7-ynal?
The IUPAC name of 8-trimethylsilyloct-7-ynal (CID 24795453) is 8-trimethylsilyloct-7-ynal.
What is the SMILES notation for 8-trimethylsilyloct-7-ynal?
The canonical SMILES for 8-trimethylsilyloct-7-ynal is C[Si](C)(C)C#CCCCCCC=O.
What is the InChIKey of 8-trimethylsilyloct-7-ynal?
The InChIKey is UCHWACMMPXJEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-13(2,3)11-9-7-5-4-6-8-10-12/h10H,4-8H2,1-3H3.
What are the key properties of 8-trimethylsilyloct-7-ynal?
8-trimethylsilyloct-7-ynal has a molecular weight of 196.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-trimethylsilyloct-7-ynal is sourced from PubChem (CID 24795453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).