(4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one

C6H10O3Si — CID 175830816

IUPAC(4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one
SMILESO=C1C[C@@H](O)C=C1CO[SiH3]
InChIInChI=1S/C6H10O3Si/c7-5-1-4(3-9-10)6(8)2-5/h1,5,7H,2-3H2,10H3/t5-/m0/s1
InChIKeyZZNJXPRPDZOUND-YFKPBYRVSA-N
MW158.23 g/mol
LogP-1.46
Rot. Bonds2

About (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one

(4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one (PubChem CID 175830816) has the molecular formula C6H10O3Si and a molecular weight of 158.23 g/mol. Its IUPAC name is (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one
PubChem CID175830816
Molecular FormulaC6H10O3Si
Molecular Weight158.23 g/mol
Exact Mass158.04
IUPAC Name(4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one
SMILESO=C1C[C@@H](O)C=C1CO[SiH3]
InChIInChI=1S/C6H10O3Si/c7-5-1-4(3-9-10)6(8)2-5/h1,5,7H,2-3H2,10H3/t5-/m0/s1
InChIKeyZZNJXPRPDZOUND-YFKPBYRVSA-N
XLogP-1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-1.46
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 (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one (CID 175830816) is (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one is O=C1C[C@@H](O)C=C1CO[SiH3].
What is the InChIKey of (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one?
The InChIKey is ZZNJXPRPDZOUND-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O3Si/c7-5-1-4(3-9-10)6(8)2-5/h1,5,7H,2-3H2,10H3/t5-/m0/s1.
What are the key properties of (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one?
(4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one has a molecular weight of 158.23 g/mol, XLogP of -1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 175830816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).