(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one

C11H19IO2Si — CID 11035123

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)C(=O)C1
InChIInChI=1S/C11H19IO2Si/c1-11(2,3)15(4,5)14-8-6-9(12)10(13)7-8/h6,8H,7H2,1-5H3/t8-/m1/s1
InChIKeyBIPKUCAAFUGYCV-MRVPVSSYSA-N
MW338.26 g/mol
LogP3.67
Rot. Bonds2

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

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one (PubChem CID 11035123) has the molecular formula C11H19IO2Si and a molecular weight of 338.26 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one
PubChem CID11035123
Molecular FormulaC11H19IO2Si
Molecular Weight338.26 g/mol
Exact Mass338.02
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)C(=O)C1
InChIInChI=1S/C11H19IO2Si/c1-11(2,3)15(4,5)14-8-6-9(12)10(13)7-8/h6,8H,7H2,1-5H3/t8-/m1/s1
InChIKeyBIPKUCAAFUGYCV-MRVPVSSYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.67
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one (CID 11035123) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)C(=O)C1.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one?
The InChIKey is BIPKUCAAFUGYCV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19IO2Si/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)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one has a molecular weight of 338.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one is sourced from PubChem (CID 11035123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).