6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol

C13H22OSi — CID 166549236

IUPAC6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol
SMILESC[Si](C)(C)C#CC1(O)CCC2(CC1)CC2
InChIInChI=1S/C13H22OSi/c1-15(2,3)11-10-13(14)8-6-12(4-5-12)7-9-13/h14H,4-9H2,1-3H3
InChIKeyLMYQDGPXFOPVFA-UHFFFAOYSA-N
MW222.40 g/mol
LogP2.95
Rot. Bonds

About 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol

6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol (PubChem CID 166549236) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol.

Molecular Properties

Compound Name6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol
PubChem CID166549236
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol
SMILESC[Si](C)(C)C#CC1(O)CCC2(CC1)CC2
InChIInChI=1S/C13H22OSi/c1-15(2,3)11-10-13(14)8-6-12(4-5-12)7-9-13/h14H,4-9H2,1-3H3
InChIKeyLMYQDGPXFOPVFA-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 52.95
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 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol?
The IUPAC name of 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol (CID 166549236) is 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol.
What is the SMILES notation for 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol?
The canonical SMILES for 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol is C[Si](C)(C)C#CC1(O)CCC2(CC1)CC2.
What is the InChIKey of 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol?
The InChIKey is LMYQDGPXFOPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-15(2,3)11-10-13(14)8-6-12(4-5-12)7-9-13/h14H,4-9H2,1-3H3.
What are the key properties of 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol?
6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol has a molecular weight of 222.40 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-trimethylsilylethynyl)spiro[2.5]octan-6-ol is sourced from PubChem (CID 166549236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).