4-phenyl-1-trimethylsilylpent-1-yn-3-ol

C14H20OSi — CID 101086711

IUPAC4-phenyl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(c1ccccc1)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C14H20OSi/c1-12(13-8-6-5-7-9-13)14(15)10-11-16(2,3)4/h5-9,12,14-15H,1-4H3
InChIKeyVTKUDWOTWXYAEV-UHFFFAOYSA-N
MW232.40 g/mol
LogP3.03
Rot. Bonds2

About 4-phenyl-1-trimethylsilylpent-1-yn-3-ol

4-phenyl-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 101086711) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is 4-phenyl-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name4-phenyl-1-trimethylsilylpent-1-yn-3-ol
PubChem CID101086711
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name4-phenyl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(c1ccccc1)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C14H20OSi/c1-12(13-8-6-5-7-9-13)14(15)10-11-16(2,3)4/h5-9,12,14-15H,1-4H3
InChIKeyVTKUDWOTWXYAEV-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.03
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-phenyl-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of 4-phenyl-1-trimethylsilylpent-1-yn-3-ol (CID 101086711) is 4-phenyl-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for 4-phenyl-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for 4-phenyl-1-trimethylsilylpent-1-yn-3-ol is CC(c1ccccc1)C(O)C#C[Si](C)(C)C.
What is the InChIKey of 4-phenyl-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is VTKUDWOTWXYAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-12(13-8-6-5-7-9-13)14(15)10-11-16(2,3)4/h5-9,12,14-15H,1-4H3.
What are the key properties of 4-phenyl-1-trimethylsilylpent-1-yn-3-ol?
4-phenyl-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 232.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 101086711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).