2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione

C13H20O2Si — CID 10376844

IUPAC2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione
SMILESCC1(CCC#C[Si](C)(C)C)C(=O)CCC1=O
InChIInChI=1S/C13H20O2Si/c1-13(11(14)7-8-12(13)15)9-5-6-10-16(2,3)4/h5,7-9H2,1-4H3
InChIKeyIZFLGSGRDWGHOL-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.59
Rot. Bonds2

About 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione

2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione (PubChem CID 10376844) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione
PubChem CID10376844
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione
SMILESCC1(CCC#C[Si](C)(C)C)C(=O)CCC1=O
InChIInChI=1S/C13H20O2Si/c1-13(11(14)7-8-12(13)15)9-5-6-10-16(2,3)4/h5,7-9H2,1-4H3
InChIKeyIZFLGSGRDWGHOL-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.59
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-Acetyl-2-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 164668741
2,2,4-Trimethyl-4-trimethylsilylethynylcyclopentane-1,3-dione
CID 551038
2-(3-Trimethylsilylprop-2-ynyl)cyclopentan-1-one
CID 11159881
1-Cyclopentyl-5-trimethylsilanyl-pent-4-yn-1-one
CID 21938587
2-But-3-ynyl-2-methylcyclopentane-1,3-dione
CID 10241128
2-Hex-4-ynyl-2-methylcyclopentane-1,3-dione
CID 10241672
2-Methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione
CID 10245481
2-Methyl-2-oct-3-ynylcyclopentane-1,3-dione
CID 10331063
2-Pentyl-2-prop-2-ynylcyclopentane-1,3-dione
CID 10488497
2-Methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentan-1-one
CID 10537031
2-Butyl-2-prop-2-ynylcyclopentane-1,3-dione
CID 10559650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione?
The IUPAC name of 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione (CID 10376844) is 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione?
The canonical SMILES for 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione is CC1(CCC#C[Si](C)(C)C)C(=O)CCC1=O.
What is the InChIKey of 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione?
The InChIKey is IZFLGSGRDWGHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-13(11(14)7-8-12(13)15)9-5-6-10-16(2,3)4/h5,7-9H2,1-4H3.
What are the key properties of 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione?
2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione has a molecular weight of 236.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione is sourced from PubChem (CID 10376844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).