2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

C12H21BrO2Si — CID 20700487

IUPAC2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=C(CBr)C(=O)C1
InChIInChI=1S/C12H21BrO2Si/c1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h6,10H,7-8H2,1-5H3
InChIKeyPVFQRZFWBXWTNH-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.67
Rot. Bonds3

About 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 20700487) has the molecular formula C12H21BrO2Si and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID20700487
Molecular FormulaC12H21BrO2Si
Molecular Weight305.29 g/mol
Exact Mass304.05
IUPAC Name2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=C(CBr)C(=O)C1
InChIInChI=1S/C12H21BrO2Si/c1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h6,10H,7-8H2,1-5H3
InChIKeyPVFQRZFWBXWTNH-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 20700487) is 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1C=C(CBr)C(=O)C1.
What is the InChIKey of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is PVFQRZFWBXWTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO2Si/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 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 305.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 20700487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).