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

C13H24O2Si — CID 12964897

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one
SMILESCC1(C)C(=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-12(2,3)16(6,7)15-11-9-8-10(14)13(11,4)5/h8-9,11H,1-7H3/t11-/m0/s1
InChIKeySQNXIGVELAFLKX-NSHDSACASA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds2

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

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one (PubChem CID 12964897) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one
PubChem CID12964897
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one
SMILESCC1(C)C(=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-12(2,3)16(6,7)15-11-9-8-10(14)13(11,4)5/h8-9,11H,1-7H3/t11-/m0/s1
InChIKeySQNXIGVELAFLKX-NSHDSACASA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.54
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 (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one (CID 12964897) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one is CC1(C)C(=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one?
The InChIKey is SQNXIGVELAFLKX-NSHDSACASA-N. The full InChI is InChI=1S/C13H24O2Si/c1-12(2,3)16(6,7)15-11-9-8-10(14)13(11,4)5/h8-9,11H,1-7H3/t11-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylcyclopent-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.54, 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-5,5-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 12964897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).