5-trimethylsilyloxyhex-3-yn-2-ol

C9H18O2Si — CID 14528286

IUPAC5-trimethylsilyloxyhex-3-yn-2-ol
SMILESCC(O)C#CC(C)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(10)6-7-9(2)11-12(3,4)5/h8-10H,1-5H3
InChIKeyNXTZHLVWQYPPRR-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.61
Rot. Bonds2

About 5-trimethylsilyloxyhex-3-yn-2-ol

5-trimethylsilyloxyhex-3-yn-2-ol (PubChem CID 14528286) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 5-trimethylsilyloxyhex-3-yn-2-ol.

Molecular Properties

Compound Name5-trimethylsilyloxyhex-3-yn-2-ol
PubChem CID14528286
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name5-trimethylsilyloxyhex-3-yn-2-ol
SMILESCC(O)C#CC(C)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(10)6-7-9(2)11-12(3,4)5/h8-10H,1-5H3
InChIKeyNXTZHLVWQYPPRR-UHFFFAOYSA-N
XLogP1.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-trimethylsilyloxyhex-3-yn-2-ol?
The IUPAC name of 5-trimethylsilyloxyhex-3-yn-2-ol (CID 14528286) is 5-trimethylsilyloxyhex-3-yn-2-ol.
What is the SMILES notation for 5-trimethylsilyloxyhex-3-yn-2-ol?
The canonical SMILES for 5-trimethylsilyloxyhex-3-yn-2-ol is CC(O)C#CC(C)O[Si](C)(C)C.
What is the InChIKey of 5-trimethylsilyloxyhex-3-yn-2-ol?
The InChIKey is NXTZHLVWQYPPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(10)6-7-9(2)11-12(3,4)5/h8-10H,1-5H3.
What are the key properties of 5-trimethylsilyloxyhex-3-yn-2-ol?
5-trimethylsilyloxyhex-3-yn-2-ol has a molecular weight of 186.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxyhex-3-yn-2-ol is sourced from PubChem (CID 14528286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).