(3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

C20H33NO2Si — CID 123257492

About (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

(3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 123257492) has the molecular formula C20H33NO2Si and a molecular weight of 347.58 g/mol. Its IUPAC name is (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

• Compound Name: (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
• PubChem CID: 123257492
• Molecular Formula: C20H33NO2Si
• Molecular Weight: 347.58 g/mol
• Exact Mass: 347.23
• IUPAC Name: (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
• SMILES: C[SiH](C)OC1CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
• InChI: InChI=1S/C20H33NO2Si/c1-19-12-10-18(22)21-16(19)7-5-13-14-6-8-17(23-24(3)4)20(14,2)11-9-15(13)19/h7,13-15,17,24H,5-6,8-12H2,1-4H3,(H,21,22)/t13-,14-,15+,17?,19+,20-/m0/s1
• InChIKey: DPOBTADGKHKIGQ-IANSBZHTSA-N
• XLogP: 4.00
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.58
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?

The IUPAC name of (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (CID 123257492) is (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.

What is the SMILES notation for (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?

The canonical SMILES for (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is C[SiH](C)OC1CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C.

What is the InChIKey of (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?

The InChIKey is DPOBTADGKHKIGQ-IANSBZHTSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-19-12-10-18(22)21-16(19)7-5-13-14-6-8-17(23-24(3)4)20(14,2)11-9-15(13)19/h7,13-15,17,24H,5-6,8-12H2,1-4H3,(H,21,22)/t13-,14-,15+,17?,19+,20-/m0/s1.

What are the key properties of (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?

(3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 347.58 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 123257492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).