2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione

C13H20O2Si — CID 551038

IUPAC2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione
SMILESCC1(C#C[Si](C)(C)C)CC(=O)C(C)(C)C1=O
InChIInChI=1S/C13H20O2Si/c1-12(2)10(14)9-13(3,11(12)15)7-8-16(4,5)6/h9H2,1-6H3
InChIKeyCGCKVEJNLXAPPG-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.44
Rot. Bonds

About 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione

2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione (PubChem CID 551038) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione
PubChem CID551038
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione
SMILESCC1(C#C[Si](C)(C)C)CC(=O)C(C)(C)C1=O
InChIInChI=1S/C13H20O2Si/c1-12(2)10(14)9-13(3,11(12)15)7-8-16(4,5)6/h9H2,1-6H3
InChIKeyCGCKVEJNLXAPPG-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 162401892
2-Methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione
CID 10245481
2-Methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione
CID 10376844
2-Methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentan-1-one
CID 10537031
3-Methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 10774214
3-Methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 25260242
5,5-Dimethyl-8-(trimethylsilyl)-7-octyne-2,4-dione
CID 90482806

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione?
The IUPAC name of 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione (CID 551038) is 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione?
The canonical SMILES for 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione is CC1(C#C[Si](C)(C)C)CC(=O)C(C)(C)C1=O.
What is the InChIKey of 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione?
The InChIKey is CGCKVEJNLXAPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-12(2)10(14)9-13(3,11(12)15)7-8-16(4,5)6/h9H2,1-6H3.
What are the key properties of 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione?
2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione has a molecular weight of 236.39 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(2-trimethylsilylethynyl)cyclopentane-1,3-dione is sourced from PubChem (CID 551038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).