(4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one

C12H22O3Si — CID 11184099

IUPAC(4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one
SMILESC[Si](C)(C)CCOCC1=C[C@H](O)CCC1=O
InChIInChI=1S/C12H22O3Si/c1-16(2,3)7-6-15-9-10-8-11(13)4-5-12(10)14/h8,11,13H,4-7,9H2,1-3H3/t11-/m1/s1
InChIKeyDTQSHSHEERLQLR-LLVKDONJSA-N
MW242.39 g/mol
LogP1.99
Rot. Bonds5

About (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one

(4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one (PubChem CID 11184099) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one
PubChem CID11184099
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one
SMILESC[Si](C)(C)CCOCC1=C[C@H](O)CCC1=O
InChIInChI=1S/C12H22O3Si/c1-16(2,3)7-6-15-9-10-8-11(13)4-5-12(10)14/h8,11,13H,4-7,9H2,1-3H3/t11-/m1/s1
InChIKeyDTQSHSHEERLQLR-LLVKDONJSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one (CID 11184099) is (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one is C[Si](C)(C)CCOCC1=C[C@H](O)CCC1=O.
What is the InChIKey of (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one?
The InChIKey is DTQSHSHEERLQLR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-16(2,3)7-6-15-9-10-8-11(13)4-5-12(10)14/h8,11,13H,4-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one?
(4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one has a molecular weight of 242.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11184099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).