2-(2-trimethylsilylethynyl)pent-3-yn-1-ol

C10H16OSi — CID 553173

IUPAC2-(2-trimethylsilylethynyl)pent-3-yn-1-ol
SMILESCC#CC(C#C[Si](C)(C)C)CO
InChIInChI=1S/C10H16OSi/c1-5-6-10(9-11)7-8-12(2,3)4/h10-11H,9H2,1-4H3
InChIKeyVQYSOAZOKSTMEN-UHFFFAOYSA-N
MW180.32 g/mol
LogP1.50
Rot. Bonds1

About 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol

2-(2-trimethylsilylethynyl)pent-3-yn-1-ol (PubChem CID 553173) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol.

Molecular Properties

Compound Name2-(2-trimethylsilylethynyl)pent-3-yn-1-ol
PubChem CID553173
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name2-(2-trimethylsilylethynyl)pent-3-yn-1-ol
SMILESCC#CC(C#C[Si](C)(C)C)CO
InChIInChI=1S/C10H16OSi/c1-5-6-10(9-11)7-8-12(2,3)4/h10-11H,9H2,1-4H3
InChIKeyVQYSOAZOKSTMEN-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 51.50
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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Related Compounds

5-Trimethylsilyl-4-pentyn-1-ol
CID 2760861
3-Methyl-5-(trimethylsilyl)pent-4-yn-2-ol
CID 14084681
3-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
CID 2757283
4-(Triethylsilyl)-3-butyn-1-ol
CID 2760694
4-(Trimethylsilyl)but-3-yn-1-ol
CID 2760827
6-(Trimethylsilyl)hex-4-yn-1-ol
CID 13434250
4-(Tert-butyldimethylsilyl)but-3-yn-1-ol
CID 86178901
1-Trimethylsilylpent-1-yn-3-ol
CID 357809
5-Trimethylsilylpent-4-yn-2-ol
CID 11073669
1-[(1,1-Dimethylethyl)dimethylsilyl]-2-butyn-1-ol
CID 11389800
5-Trimethylsilylpent-3-yn-1-ol
CID 12853429
2-Propyn-1-ol, 1-[(1,1-dimethylethyl)dimethylsilyl]-3-(trimethylsilyl)-
CID 11032078

Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol?
The IUPAC name of 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol (CID 553173) is 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol.
What is the SMILES notation for 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol?
The canonical SMILES for 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol is CC#CC(C#C[Si](C)(C)C)CO.
What is the InChIKey of 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol?
The InChIKey is VQYSOAZOKSTMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSi/c1-5-6-10(9-11)7-8-12(2,3)4/h10-11H,9H2,1-4H3.
What are the key properties of 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol?
2-(2-trimethylsilylethynyl)pent-3-yn-1-ol has a molecular weight of 180.32 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethynyl)pent-3-yn-1-ol is sourced from PubChem (CID 553173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).