(4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one

C11H19BrO3Si — CID 11034149

IUPAC(4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C(Br)=C[C@H]1O
InChIInChI=1S/C11H19BrO3Si/c1-11(2,3)16(4,5)15-10-8(13)6-7(12)9(10)14/h6,8,10,13H,1-5H3/t8-,10+/m1/s1
InChIKeyOWLGGOKWBGYVDK-SCZZXKLOSA-N
MW307.26 g/mol
LogP2.60
Rot. Bonds2

About (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one

(4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one (PubChem CID 11034149) has the molecular formula C11H19BrO3Si and a molecular weight of 307.26 g/mol. Its IUPAC name is (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
PubChem CID11034149
Molecular FormulaC11H19BrO3Si
Molecular Weight307.26 g/mol
Exact Mass306.03
IUPAC Name(4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C(Br)=C[C@H]1O
InChIInChI=1S/C11H19BrO3Si/c1-11(2,3)16(4,5)15-10-8(13)6-7(12)9(10)14/h6,8,10,13H,1-5H3/t8-,10+/m1/s1
InChIKeyOWLGGOKWBGYVDK-SCZZXKLOSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one (CID 11034149) is (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C(Br)=C[C@H]1O.
What is the InChIKey of (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one?
The InChIKey is OWLGGOKWBGYVDK-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H19BrO3Si/c1-11(2,3)16(4,5)15-10-8(13)6-7(12)9(10)14/h6,8,10,13H,1-5H3/t8-,10+/m1/s1.
What are the key properties of (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one?
(4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one has a molecular weight of 307.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 11034149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).