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

C24H38O3Si2 — CID 634458

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

13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (PubChem CID 634458) has the molecular formula C24H38O3Si2 and a molecular weight of 430.74 g/mol. Its IUPAC name is 13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.

Molecular Properties

• Compound Name: 13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• PubChem CID: 634458
• Molecular Formula: C24H38O3Si2
• Molecular Weight: 430.74 g/mol
• Exact Mass: 430.24
• IUPAC Name: 13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• SMILES: CC12C(=O)CCC1C1CCc3cc(O[Si](C)(C)C)ccc3C1CC2O[Si](C)(C)C
• InChI: InChI=1S/C24H38O3Si2/c1-24-21(12-13-22(24)25)19-10-8-16-14-17(26-28(2,3)4)9-11-18(16)20(19)15-23(24)27-29(5,6)7/h9,11,14,19-21,23H,8,10,12-13,15H2,1-7H3
• InChIKey: NHGCCMYUKXSPLL-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.74
LogP ≤ 5	6.16
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 13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?

The IUPAC name of 13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CID 634458) is 13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.

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

The canonical SMILES for 13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is CC12C(=O)CCC1C1CCc3cc(O[Si](C)(C)C)ccc3C1CC2O[Si](C)(C)C.

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

The InChIKey is NHGCCMYUKXSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O3Si2/c1-24-21(12-13-22(24)25)19-10-8-16-14-17(26-28(2,3)4)9-11-18(16)20(19)15-23(24)27-29(5,6)7/h9,11,14,19-21,23H,8,10,12-13,15H2,1-7H3.

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

13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one has a molecular weight of 430.74 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 634458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).