(2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one

C13H24OSi — CID 11615516

IUPAC(2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one
SMILESC=C(C)[C@H]1CC(=O)[C@H](C)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C13H24OSi/c1-9(2)11-7-12(14)10(3)13(8-11)15(4,5)6/h10-11,13H,1,7-8H2,2-6H3/t10-,11-,13+/m0/s1
InChIKeyBFLOAIBOJVJXAY-GMXVVIOVSA-N
MW224.42 g/mol
LogP3.89
Rot. Bonds2

About (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one

(2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one (PubChem CID 11615516) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one.

Molecular Properties

Compound Name(2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one
PubChem CID11615516
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one
SMILESC=C(C)[C@H]1CC(=O)[C@H](C)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C13H24OSi/c1-9(2)11-7-12(14)10(3)13(8-11)15(4,5)6/h10-11,13H,1,7-8H2,2-6H3/t10-,11-,13+/m0/s1
InChIKeyBFLOAIBOJVJXAY-GMXVVIOVSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one?
The IUPAC name of (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one (CID 11615516) is (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one.
What is the SMILES notation for (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one?
The canonical SMILES for (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one is C=C(C)[C@H]1CC(=O)[C@H](C)[C@H]([Si](C)(C)C)C1.
What is the InChIKey of (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one?
The InChIKey is BFLOAIBOJVJXAY-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H24OSi/c1-9(2)11-7-12(14)10(3)13(8-11)15(4,5)6/h10-11,13H,1,7-8H2,2-6H3/t10-,11-,13+/m0/s1.
What are the key properties of (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one?
(2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one has a molecular weight of 224.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one is sourced from PubChem (CID 11615516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).