cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one

C13H24OSi — CID 71412248

IUPACcis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one
SMILESC[C@H]1CCC[C@H](CC=C[Si](C)(C)C)C1=O
InChIInChI=1S/C13H24OSi/c1-11-7-5-8-12(13(11)14)9-6-10-15(2,3)4/h6,10-12H,5,7-9H2,1-4H3/t11-,12+/m0/s1
InChIKeySBJIBGPTXUGHIT-NWDGAFQWSA-N
MW224.42 g/mol
LogP3.82
Rot. Bonds3

About cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one

cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one (PubChem CID 71412248) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one
PubChem CID71412248
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Namecis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one
SMILESC[C@H]1CCC[C@H](CC=C[Si](C)(C)C)C1=O
InChIInChI=1S/C13H24OSi/c1-11-7-5-8-12(13(11)14)9-6-10-15(2,3)4/h6,10-12H,5,7-9H2,1-4H3/t11-,12+/m0/s1
InChIKeySBJIBGPTXUGHIT-NWDGAFQWSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one?
The IUPAC name of cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one (CID 71412248) is cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one.
What is the SMILES notation for cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one?
The canonical SMILES for cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one is C[C@H]1CCC[C@H](CC=C[Si](C)(C)C)C1=O.
What is the InChIKey of cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one?
The InChIKey is SBJIBGPTXUGHIT-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11-7-5-8-12(13(11)14)9-6-10-15(2,3)4/h6,10-12H,5,7-9H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one?
cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one has a molecular weight of 224.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one is sourced from PubChem (CID 71412248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).