4-triethylsilylbut-3-yn-2-ol

C10H20OSi — CID 24967368

IUPAC4-triethylsilylbut-3-yn-2-ol
SMILESCC[Si](C#CC(C)O)(CC)CC
InChIInChI=1S/C10H20OSi/c1-5-12(6-2,7-3)9-8-10(4)11/h10-11H,5-7H2,1-4H3
InChIKeyQPSZTTCCCKTXDA-UHFFFAOYSA-N
MW184.35 g/mol
LogP2.42
Rot. Bonds3

About 4-triethylsilylbut-3-yn-2-ol

4-triethylsilylbut-3-yn-2-ol (PubChem CID 24967368) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is 4-triethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-triethylsilylbut-3-yn-2-ol
PubChem CID24967368
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name4-triethylsilylbut-3-yn-2-ol
SMILESCC[Si](C#CC(C)O)(CC)CC
InChIInChI=1S/C10H20OSi/c1-5-12(6-2,7-3)9-8-10(4)11/h10-11H,5-7H2,1-4H3
InChIKeyQPSZTTCCCKTXDA-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
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 4-triethylsilylbut-3-yn-2-ol?
The IUPAC name of 4-triethylsilylbut-3-yn-2-ol (CID 24967368) is 4-triethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 4-triethylsilylbut-3-yn-2-ol?
The canonical SMILES for 4-triethylsilylbut-3-yn-2-ol is CC[Si](C#CC(C)O)(CC)CC.
What is the InChIKey of 4-triethylsilylbut-3-yn-2-ol?
The InChIKey is QPSZTTCCCKTXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi/c1-5-12(6-2,7-3)9-8-10(4)11/h10-11H,5-7H2,1-4H3.
What are the key properties of 4-triethylsilylbut-3-yn-2-ol?
4-triethylsilylbut-3-yn-2-ol has a molecular weight of 184.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 24967368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).