4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one

C12H18O2Si — CID 57322812

IUPAC4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)C#CCCC1C(=O)C=CC1O
InChIInChI=1S/C12H18O2Si/c1-15(2,3)9-5-4-6-10-11(13)7-8-12(10)14/h7-8,10-11,13H,4,6H2,1-3H3
InChIKeyXWIBWGOFPWZYJY-UHFFFAOYSA-N
MW222.36 g/mol
LogP1.76
Rot. Bonds2

About 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one

4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one (PubChem CID 57322812) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one
PubChem CID57322812
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)C#CCCC1C(=O)C=CC1O
InChIInChI=1S/C12H18O2Si/c1-15(2,3)9-5-4-6-10-11(13)7-8-12(10)14/h7-8,10-11,13H,4,6H2,1-3H3
InChIKeyXWIBWGOFPWZYJY-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one (CID 57322812) is 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one is C[Si](C)(C)C#CCCC1C(=O)C=CC1O.
What is the InChIKey of 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one?
The InChIKey is XWIBWGOFPWZYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-15(2,3)9-5-4-6-10-11(13)7-8-12(10)14/h7-8,10-11,13H,4,6H2,1-3H3.
What are the key properties of 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one?
4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one has a molecular weight of 222.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-one is sourced from PubChem (CID 57322812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).