6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

C22H32O3Si — CID 631010

About 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (PubChem CID 631010) has the molecular formula C22H32O3Si and a molecular weight of 372.58 g/mol. Its IUPAC name is 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.

Molecular Properties

• Compound Name: 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• PubChem CID: 631010
• Molecular Formula: C22H32O3Si
• Molecular Weight: 372.58 g/mol
• Exact Mass: 372.21
• IUPAC Name: 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• SMILES: COC1CC2C(CCC3(C)C(=O)CCC23)c2ccc(O[Si](C)(C)C)cc21
• InChI: InChI=1S/C22H32O3Si/c1-22-11-10-16-15-7-6-14(25-26(3,4)5)12-18(15)20(24-2)13-17(16)19(22)8-9-21(22)23/h6-7,12,16-17,19-20H,8-11,13H2,1-5H3
• InChIKey: UVJUUFGLZGNUNX-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.58
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?

The IUPAC name of 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CID 631010) is 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.

What is the SMILES notation for 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?

The canonical SMILES for 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is COC1CC2C(CCC3(C)C(=O)CCC23)c2ccc(O[Si](C)(C)C)cc21.

What is the InChIKey of 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?

The InChIKey is UVJUUFGLZGNUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3Si/c1-22-11-10-16-15-7-6-14(25-26(3,4)5)12-18(15)20(24-2)13-17(16)19(22)8-9-21(22)23/h6-7,12,16-17,19-20H,8-11,13H2,1-5H3.

What are the key properties of 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?

6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one has a molecular weight of 372.58 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 631010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).