(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one

C13H24OSi — CID 11564827

IUPAC(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one
SMILESCC[Si](CC)(CC)[C@H]1CCC=C(C)C1=O
InChIInChI=1S/C13H24OSi/c1-5-15(6-2,7-3)12-10-8-9-11(4)13(12)14/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1
InChIKeyKLMDMNDDNXGQHX-LBPRGKRZSA-N
MW224.42 g/mol
LogP4.17
Rot. Bonds4

About (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one

(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one (PubChem CID 11564827) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one
PubChem CID11564827
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one
SMILESCC[Si](CC)(CC)[C@H]1CCC=C(C)C1=O
InChIInChI=1S/C13H24OSi/c1-5-15(6-2,7-3)12-10-8-9-11(4)13(12)14/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1
InChIKeyKLMDMNDDNXGQHX-LBPRGKRZSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.17
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 (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one?
The IUPAC name of (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one (CID 11564827) is (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one is CC[Si](CC)(CC)[C@H]1CCC=C(C)C1=O.
What is the InChIKey of (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one?
The InChIKey is KLMDMNDDNXGQHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24OSi/c1-5-15(6-2,7-3)12-10-8-9-11(4)13(12)14/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1.
What are the key properties of (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one?
(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one has a molecular weight of 224.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one is sourced from PubChem (CID 11564827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).