4-trimethylsilylbut-3-yn-2-ol

C7H14OSi — CID 2760828

IUPAC4-trimethylsilylbut-3-yn-2-ol
SMILESCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C7H14OSi/c1-7(8)5-6-9(2,3)4/h7-8H,1-4H3
InChIKeyHJJSDJHRTMFJLP-UHFFFAOYSA-N
MW142.27 g/mol
LogP1.25
Rot. Bonds

About 4-trimethylsilylbut-3-yn-2-ol

4-trimethylsilylbut-3-yn-2-ol (PubChem CID 2760828) has the molecular formula C7H14OSi and a molecular weight of 142.27 g/mol. Its IUPAC name is 4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-trimethylsilylbut-3-yn-2-ol
PubChem CID2760828
Molecular FormulaC7H14OSi
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name4-trimethylsilylbut-3-yn-2-ol
SMILESCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C7H14OSi/c1-7(8)5-6-9(2,3)4/h7-8H,1-4H3
InChIKeyHJJSDJHRTMFJLP-UHFFFAOYSA-N
XLogP1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 51.25
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 4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 4-trimethylsilylbut-3-yn-2-ol (CID 2760828) is 4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 4-trimethylsilylbut-3-yn-2-ol is CC(O)C#C[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is HJJSDJHRTMFJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSi/c1-7(8)5-6-9(2,3)4/h7-8H,1-4H3.
What are the key properties of 4-trimethylsilylbut-3-yn-2-ol?
4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 142.27 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 2760828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).