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

C11H19BrO2Si — CID 10708674

IUPAC(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)C(=O)C1
InChIInChI=1S/C11H19BrO2Si/c1-11(2,3)15(4,5)14-8-6-9(12)10(13)7-8/h6,8H,7H2,1-5H3/t8-/m1/s1
InChIKeyPIIFULRVBPPSJP-MRVPVSSYSA-N
MW291.26 g/mol
LogP3.63
Rot. Bonds2

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

(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 10708674) has the molecular formula C11H19BrO2Si and a molecular weight of 291.26 g/mol. Its IUPAC name is (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID10708674
Molecular FormulaC11H19BrO2Si
Molecular Weight291.26 g/mol
Exact Mass290.03
IUPAC Name(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)C(=O)C1
InChIInChI=1S/C11H19BrO2Si/c1-11(2,3)15(4,5)14-8-6-9(12)10(13)7-8/h6,8H,7H2,1-5H3/t8-/m1/s1
InChIKeyPIIFULRVBPPSJP-MRVPVSSYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium
CID 58637017
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
(1R,5R,6S)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10543628
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
(5S,6S,6aR)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 10643655
ethyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]sulfanylheptanoate
CID 22827429
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
butyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 11133051
tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10848449
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870

Frequently Asked Questions

What is the IUPAC name of (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 10708674) is (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)C(=O)C1.
What is the InChIKey of (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is PIIFULRVBPPSJP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19BrO2Si/c1-11(2,3)15(4,5)14-8-6-9(12)10(13)7-8/h6,8H,7H2,1-5H3/t8-/m1/s1.
What are the key properties of (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 291.26 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 10708674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).