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

C9H16OSi — CID 66602991

IUPAC1-(2-trimethylsilylethynyl)cyclobutan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CCC1
InChIInChI=1S/C9H16OSi/c1-11(2,3)8-7-9(10)5-4-6-9/h10H,4-6H2,1-3H3
InChIKeyWKFQDESOSQDVKI-UHFFFAOYSA-N
MW168.31 g/mol
LogP1.78
Rot. Bonds

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

1-(2-trimethylsilylethynyl)cyclobutan-1-ol (PubChem CID 66602991) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 1-(2-trimethylsilylethynyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-trimethylsilylethynyl)cyclobutan-1-ol
PubChem CID66602991
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name1-(2-trimethylsilylethynyl)cyclobutan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CCC1
InChIInChI=1S/C9H16OSi/c1-11(2,3)8-7-9(10)5-4-6-9/h10H,4-6H2,1-3H3
InChIKeyWKFQDESOSQDVKI-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 51.78
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-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The IUPAC name of 1-(2-trimethylsilylethynyl)cyclobutan-1-ol (CID 66602991) is 1-(2-trimethylsilylethynyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-trimethylsilylethynyl)cyclobutan-1-ol is C[Si](C)(C)C#CC1(O)CCC1.
What is the InChIKey of 1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The InChIKey is WKFQDESOSQDVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-11(2,3)8-7-9(10)5-4-6-9/h10H,4-6H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
1-(2-trimethylsilylethynyl)cyclobutan-1-ol has a molecular weight of 168.31 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethynyl)cyclobutan-1-ol is sourced from PubChem (CID 66602991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).