(E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine

C34H57NO3Si2 — CID 101281679

About (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine

(E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine (PubChem CID 101281679) has the molecular formula C34H57NO3Si2 and a molecular weight of 584.01 g/mol. Its IUPAC name is (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine.

Molecular Properties

• Compound Name: (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine
• PubChem CID: 101281679
• Molecular Formula: C34H57NO3Si2
• Molecular Weight: 584.01 g/mol
• Exact Mass: 583.39
• IUPAC Name: (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine
• SMILES: C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C(CO[Si](C)(C)C)=N\OCc3ccccc3)CC[C@@H]12
• InChI: InChI=1S/C34H57NO3Si2/c1-33-20-18-27(38-40(6,7)8)22-26(33)14-15-28-29-16-17-31(34(29,2)21-19-30(28)33)32(24-37-39(3,4)5)35-36-23-25-12-10-9-11-13-25/h9-13,26-31H,14-24H2,1-8H3/b35-32-/t26-,27-,28+,29+,30+,31-,33+,34+/m1/s1
• InChIKey: MGKRGWBTKUOMEV-FZDTVZHOSA-N
• XLogP: 9.29
• TPSA: 40.05 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.01
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine?

The IUPAC name of (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine (CID 101281679) is (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine.

What is the SMILES notation for (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine?

The canonical SMILES for (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine is C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C(CO[Si](C)(C)C)=N\OCc3ccccc3)CC[C@@H]12.

What is the InChIKey of (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine?

The InChIKey is MGKRGWBTKUOMEV-FZDTVZHOSA-N. The full InChI is InChI=1S/C34H57NO3Si2/c1-33-20-18-27(38-40(6,7)8)22-26(33)14-15-28-29-16-17-31(34(29,2)21-19-30(28)33)32(24-37-39(3,4)5)35-36-23-25-12-10-9-11-13-25/h9-13,26-31H,14-24H2,1-8H3/b35-32-/t26-,27-,28+,29+,30+,31-,33+,34+/m1/s1.

What are the key properties of (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine?

(E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine has a molecular weight of 584.01 g/mol, XLogP of 9.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylmethoxy-2-trimethylsilyloxyethanimine is sourced from PubChem (CID 101281679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).