1-trimethylsilyloct-1-yn-4-ol

C11H22OSi — CID 10703134

IUPAC1-trimethylsilyloct-1-yn-4-ol
SMILESCCCCC(O)CC#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-5-6-8-11(12)9-7-10-13(2,3)4/h11-12H,5-6,8-9H2,1-4H3
InChIKeyZHKBBCJCCULOJH-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.81
Rot. Bonds4

About 1-trimethylsilyloct-1-yn-4-ol

1-trimethylsilyloct-1-yn-4-ol (PubChem CID 10703134) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 1-trimethylsilyloct-1-yn-4-ol.

Molecular Properties

Compound Name1-trimethylsilyloct-1-yn-4-ol
PubChem CID10703134
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name1-trimethylsilyloct-1-yn-4-ol
SMILESCCCCC(O)CC#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-5-6-8-11(12)9-7-10-13(2,3)4/h11-12H,5-6,8-9H2,1-4H3
InChIKeyZHKBBCJCCULOJH-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloct-1-yn-4-ol?
The IUPAC name of 1-trimethylsilyloct-1-yn-4-ol (CID 10703134) is 1-trimethylsilyloct-1-yn-4-ol.
What is the SMILES notation for 1-trimethylsilyloct-1-yn-4-ol?
The canonical SMILES for 1-trimethylsilyloct-1-yn-4-ol is CCCCC(O)CC#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyloct-1-yn-4-ol?
The InChIKey is ZHKBBCJCCULOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-5-6-8-11(12)9-7-10-13(2,3)4/h11-12H,5-6,8-9H2,1-4H3.
What are the key properties of 1-trimethylsilyloct-1-yn-4-ol?
1-trimethylsilyloct-1-yn-4-ol has a molecular weight of 198.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloct-1-yn-4-ol is sourced from PubChem (CID 10703134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).