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

C12H21BrO2Si — CID 10566481

IUPAC(4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=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/t10-/m0/s1
InChIKeyPVFQRZFWBXWTNH-JTQLQIEISA-N
MW305.29 g/mol
LogP3.67
Rot. Bonds3

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

(4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 10566481) has the molecular formula C12H21BrO2Si and a molecular weight of 305.29 g/mol. Its IUPAC name is (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID10566481
Molecular FormulaC12H21BrO2Si
Molecular Weight305.29 g/mol
Exact Mass304.05
IUPAC Name(4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=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/t10-/m0/s1
InChIKeyPVFQRZFWBXWTNH-JTQLQIEISA-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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Related Compounds

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
(4S)-2-Bromo-4-{[tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-one
CID 10708674
4-[Tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
CID 134963516
(5Z)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 9816792
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-one
CID 10987962
(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 11369146
(RS)-3-allyl-4-oxo-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 14189022
(R)-2-allyl-4-(tert-butyldimethylsilyloxy)cyclopent-2-enone
CID 14189023
2-(Bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 20700487

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 10566481) is (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@H]1C=C(CBr)C(=O)C1.
What is the InChIKey of (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is PVFQRZFWBXWTNH-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
(4R)-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 (4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 10566481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).