trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one

C12H24O2Si — CID 10443779

IUPACtrans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one
SMILESC[C@@H]1CC[C@@H]([C@](C)(O)[Si](C)(C)C)C(=O)C1
InChIInChI=1S/C12H24O2Si/c1-9-6-7-10(11(13)8-9)12(2,14)15(3,4)5/h9-10,14H,6-8H2,1-5H3/t9-,10-,12-/m1/s1
InChIKeyJDEZIZLIGLWGJU-CKYFFXLPSA-N
MW228.41 g/mol
LogP2.62
Rot. Bonds2

About trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one

trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one (PubChem CID 10443779) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one
PubChem CID10443779
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one
SMILESC[C@@H]1CC[C@@H]([C@](C)(O)[Si](C)(C)C)C(=O)C1
InChIInChI=1S/C12H24O2Si/c1-9-6-7-10(11(13)8-9)12(2,14)15(3,4)5/h9-10,14H,6-8H2,1-5H3/t9-,10-,12-/m1/s1
InChIKeyJDEZIZLIGLWGJU-CKYFFXLPSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
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 trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one?
The IUPAC name of trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one (CID 10443779) is trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one.
What is the SMILES notation for trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one?
The canonical SMILES for trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one is C[C@@H]1CC[C@@H]([C@](C)(O)[Si](C)(C)C)C(=O)C1.
What is the InChIKey of trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one?
The InChIKey is JDEZIZLIGLWGJU-CKYFFXLPSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-9-6-7-10(11(13)8-9)12(2,14)15(3,4)5/h9-10,14H,6-8H2,1-5H3/t9-,10-,12-/m1/s1.
What are the key properties of trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one?
trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one has a molecular weight of 228.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,5R)-2-[(1R)-1-hydroxy-1-trimethylsilylethyl]-5-methylcyclohexan-1-one is sourced from PubChem (CID 10443779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).