3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol

C11H20OSi — CID 158333480

IUPAC3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol
SMILESCCC1CC(O)(C#C[Si](C)(C)C)C1
InChIInChI=1S/C11H20OSi/c1-5-10-8-11(12,9-10)6-7-13(2,3)4/h10,12H,5,8-9H2,1-4H3
InChIKeyBPFAUMHKMAAFFP-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.42
Rot. Bonds1

About 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol

3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol (PubChem CID 158333480) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol
PubChem CID158333480
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol
SMILESCCC1CC(O)(C#C[Si](C)(C)C)C1
InChIInChI=1S/C11H20OSi/c1-5-10-8-11(12,9-10)6-7-13(2,3)4/h10,12H,5,8-9H2,1-4H3
InChIKeyBPFAUMHKMAAFFP-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.42
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 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The IUPAC name of 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol (CID 158333480) is 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol.
What is the SMILES notation for 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The canonical SMILES for 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol is CCC1CC(O)(C#C[Si](C)(C)C)C1.
What is the InChIKey of 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The InChIKey is BPFAUMHKMAAFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-5-10-8-11(12,9-10)6-7-13(2,3)4/h10,12H,5,8-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol has a molecular weight of 196.37 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-trimethylsilylethynyl)cyclobutan-1-ol is sourced from PubChem (CID 158333480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).