(5S)-5-trimethylsilylcyclohex-2-en-1-one

C9H16OSi — CID 10866746

IUPAC(5S)-5-trimethylsilylcyclohex-2-en-1-one
SMILESC[Si](C)(C)[C@H]1CC=CC(=O)C1
InChIInChI=1S/C9H16OSi/c1-11(2,3)9-6-4-5-8(10)7-9/h4-5,9H,6-7H2,1-3H3/t9-/m0/s1
InChIKeyXURQBSWHQFVSPZ-VIFPVBQESA-N
MW168.31 g/mol
LogP2.61
Rot. Bonds1

About (5S)-5-trimethylsilylcyclohex-2-en-1-one

(5S)-5-trimethylsilylcyclohex-2-en-1-one (PubChem CID 10866746) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (5S)-5-trimethylsilylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-trimethylsilylcyclohex-2-en-1-one
PubChem CID10866746
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(5S)-5-trimethylsilylcyclohex-2-en-1-one
SMILESC[Si](C)(C)[C@H]1CC=CC(=O)C1
InChIInChI=1S/C9H16OSi/c1-11(2,3)9-6-4-5-8(10)7-9/h4-5,9H,6-7H2,1-3H3/t9-/m0/s1
InChIKeyXURQBSWHQFVSPZ-VIFPVBQESA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.61
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 (5S)-5-trimethylsilylcyclohex-2-en-1-one?
The IUPAC name of (5S)-5-trimethylsilylcyclohex-2-en-1-one (CID 10866746) is (5S)-5-trimethylsilylcyclohex-2-en-1-one.
What is the SMILES notation for (5S)-5-trimethylsilylcyclohex-2-en-1-one?
The canonical SMILES for (5S)-5-trimethylsilylcyclohex-2-en-1-one is C[Si](C)(C)[C@H]1CC=CC(=O)C1.
What is the InChIKey of (5S)-5-trimethylsilylcyclohex-2-en-1-one?
The InChIKey is XURQBSWHQFVSPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16OSi/c1-11(2,3)9-6-4-5-8(10)7-9/h4-5,9H,6-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (5S)-5-trimethylsilylcyclohex-2-en-1-one?
(5S)-5-trimethylsilylcyclohex-2-en-1-one has a molecular weight of 168.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-trimethylsilylcyclohex-2-en-1-one is sourced from PubChem (CID 10866746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).