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

C12H22O2Si — CID 91999208

IUPAC(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one
SMILESC[C@@H]1C(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-9-10(13)7-8-11(9)14-15(5,6)12(2,3)4/h7-9,11H,1-6H3/t9-,11-/m1/s1
InChIKeyXXIUYKYZEIXXHL-MWLCHTKSSA-N
MW226.39 g/mol
LogP3.15
Rot. Bonds2

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

(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one (PubChem CID 91999208) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one
PubChem CID91999208
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one
SMILESC[C@@H]1C(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-9-10(13)7-8-11(9)14-15(5,6)12(2,3)4/h7-9,11H,1-6H3/t9-,11-/m1/s1
InChIKeyXXIUYKYZEIXXHL-MWLCHTKSSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one (CID 91999208) is (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one is C[C@@H]1C(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one?
The InChIKey is XXIUYKYZEIXXHL-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-9-10(13)7-8-11(9)14-15(5,6)12(2,3)4/h7-9,11H,1-6H3/t9-,11-/m1/s1.
What are the key properties of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one?
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 91999208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).