(4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one

C13H24O3Si — CID 134894370

IUPAC(4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)OCC1=C[C@@](C)(O)CC1=O
InChIInChI=1S/C13H24O3Si/c1-5-17(6-2,7-3)16-10-11-8-13(4,15)9-12(11)14/h8,15H,5-7,9-10H2,1-4H3/t13-/m1/s1
InChIKeyFRZLWLBIWZQPAD-CYBMUJFWSA-N
MW256.42 g/mol
LogP2.66
Rot. Bonds6

About (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one

(4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one (PubChem CID 134894370) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one
PubChem CID134894370
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)OCC1=C[C@@](C)(O)CC1=O
InChIInChI=1S/C13H24O3Si/c1-5-17(6-2,7-3)16-10-11-8-13(4,15)9-12(11)14/h8,15H,5-7,9-10H2,1-4H3/t13-/m1/s1
InChIKeyFRZLWLBIWZQPAD-CYBMUJFWSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one?
The IUPAC name of (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one (CID 134894370) is (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one is CC[Si](CC)(CC)OCC1=C[C@@](C)(O)CC1=O.
What is the InChIKey of (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one?
The InChIKey is FRZLWLBIWZQPAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-5-17(6-2,7-3)16-10-11-8-13(4,15)9-12(11)14/h8,15H,5-7,9-10H2,1-4H3/t13-/m1/s1.
What are the key properties of (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one?
(4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one has a molecular weight of 256.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 134894370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).