2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one

C12H22O2Si — CID 53497040

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1
InChIInChI=1S/C12H22O2Si/c1-9-7-8-10(13)11(9)14-15(5,6)12(2,3)4/h7-8H2,1-6H3
InChIKeyZACBFQTYXLAGKP-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.65
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one

2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one (PubChem CID 53497040) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
PubChem CID53497040
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1
InChIInChI=1S/C12H22O2Si/c1-9-7-8-10(13)11(9)14-15(5,6)12(2,3)4/h7-8H2,1-6H3
InChIKeyZACBFQTYXLAGKP-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one (CID 53497040) is 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one is CC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one?
The InChIKey is ZACBFQTYXLAGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-9-7-8-10(13)11(9)14-15(5,6)12(2,3)4/h7-8H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one?
2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 53497040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).