[(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C30H39F3O3Si — CID 11284004

About [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 11284004) has the molecular formula C30H39F3O3Si and a molecular weight of 532.72 g/mol. Its IUPAC name is [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• PubChem CID: 11284004
• Molecular Formula: C30H39F3O3Si
• Molecular Weight: 532.72 g/mol
• Exact Mass: 532.26
• IUPAC Name: [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• SMILES: COc1cc2c(cc1OCc1ccccc1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(F)(F)F
• InChI: InChI=1S/C30H39F3O3Si/c1-28-15-13-22-23(25(28)14-16-29(28,30(31,32)33)36-37(3,4)5)12-11-21-17-27(26(34-2)18-24(21)22)35-19-20-9-7-6-8-10-20/h6-10,17-18,22-23,25H,11-16,19H2,1-5H3/t22-,23+,25-,28-,29-/m0/s1
• InChIKey: DGNVEMVYQLBQAK-IZYVUOEASA-N
• XLogP: 8.28
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.72
LogP ≤ 5	8.28
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 [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The IUPAC name of [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 11284004) is [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

What is the SMILES notation for [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The canonical SMILES for [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is COc1cc2c(cc1OCc1ccccc1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(F)(F)F.

What is the InChIKey of [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

The InChIKey is DGNVEMVYQLBQAK-IZYVUOEASA-N. The full InChI is InChI=1S/C30H39F3O3Si/c1-28-15-13-22-23(25(28)14-16-29(28,30(31,32)33)36-37(3,4)5)12-11-21-17-27(26(34-2)18-24(21)22)35-19-20-9-7-6-8-10-20/h6-10,17-18,22-23,25H,11-16,19H2,1-5H3/t22-,23+,25-,28-,29-/m0/s1.

What are the key properties of [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?

[(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 532.72 g/mol, XLogP of 8.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-phenylmethoxy-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 11284004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).