3-trimethylsilyloct-1-yn-1-ol

C11H22OSi — CID 142514718

IUPAC3-trimethylsilyloct-1-yn-1-ol
SMILESCCCCCC(C#CO)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-5-6-7-8-11(9-10-12)13(2,3)4/h11-12H,5-8H2,1-4H3
InChIKeyACHMCQVWUFXPJV-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.61
Rot. Bonds5

About 3-trimethylsilyloct-1-yn-1-ol

3-trimethylsilyloct-1-yn-1-ol (PubChem CID 142514718) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 3-trimethylsilyloct-1-yn-1-ol.

Molecular Properties

Compound Name3-trimethylsilyloct-1-yn-1-ol
PubChem CID142514718
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name3-trimethylsilyloct-1-yn-1-ol
SMILESCCCCCC(C#CO)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-5-6-7-8-11(9-10-12)13(2,3)4/h11-12H,5-8H2,1-4H3
InChIKeyACHMCQVWUFXPJV-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloct-1-yn-1-ol?
The IUPAC name of 3-trimethylsilyloct-1-yn-1-ol (CID 142514718) is 3-trimethylsilyloct-1-yn-1-ol.
What is the SMILES notation for 3-trimethylsilyloct-1-yn-1-ol?
The canonical SMILES for 3-trimethylsilyloct-1-yn-1-ol is CCCCCC(C#CO)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloct-1-yn-1-ol?
The InChIKey is ACHMCQVWUFXPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-5-6-7-8-11(9-10-12)13(2,3)4/h11-12H,5-8H2,1-4H3.
What are the key properties of 3-trimethylsilyloct-1-yn-1-ol?
3-trimethylsilyloct-1-yn-1-ol has a molecular weight of 198.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloct-1-yn-1-ol is sourced from PubChem (CID 142514718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).