(2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one

C24H42O3Si — CID 57413056

About (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one

(2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one (PubChem CID 57413056) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one.

Molecular Properties

• Compound Name: (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one
• PubChem CID: 57413056
• Molecular Formula: C24H42O3Si
• Molecular Weight: 406.68 g/mol
• Exact Mass: 406.29
• IUPAC Name: (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one
• SMILES: CC(C)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C)(CC[C@]2(C)C=CCCC2=O)C1=O
• InChI: InChI=1S/C24H42O3Si/c1-17(2)18-16-20(27-28(8,9)22(3,4)5)24(7,21(18)26)15-14-23(6)13-11-10-12-19(23)25/h11,13,17-18,20H,10,12,14-16H2,1-9H3/t18-,20-,23+,24+/m1/s1
• InChIKey: QQKRJJHSFZXXJQ-YKBLPDKLSA-N
• XLogP: 6.33
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.68
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one?

The IUPAC name of (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one (CID 57413056) is (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one.

What is the SMILES notation for (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one?

The canonical SMILES for (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one is CC(C)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C)(CC[C@]2(C)C=CCCC2=O)C1=O.

What is the InChIKey of (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one?

The InChIKey is QQKRJJHSFZXXJQ-YKBLPDKLSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-17(2)18-16-20(27-28(8,9)22(3,4)5)24(7,21(18)26)15-14-23(6)13-11-10-12-19(23)25/h11,13,17-18,20H,10,12,14-16H2,1-9H3/t18-,20-,23+,24+/m1/s1.

What are the key properties of (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one?

(2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one has a molecular weight of 406.68 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one is sourced from PubChem (CID 57413056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).