4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one

C12H21IO2Si — CID 20700490

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=C(CI)C(=O)C1
InChIInChI=1S/C12H21IO2Si/c1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h6,10H,7-8H2,1-5H3
InChIKeyLUOQKNLUIHXOSD-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.71
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one (PubChem CID 20700490) has the molecular formula C12H21IO2Si and a molecular weight of 352.29 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one
PubChem CID20700490
Molecular FormulaC12H21IO2Si
Molecular Weight352.29 g/mol
Exact Mass352.04
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=C(CI)C(=O)C1
InChIInChI=1S/C12H21IO2Si/c1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h6,10H,7-8H2,1-5H3
InChIKeyLUOQKNLUIHXOSD-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one (CID 20700490) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1C=C(CI)C(=O)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one?
The InChIKey is LUOQKNLUIHXOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO2Si/c1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h6,10H,7-8H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one has a molecular weight of 352.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 20700490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).