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

C33H67NO5Si4 — CID 91751478

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

N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine (PubChem CID 91751478) has the molecular formula C33H67NO5Si4 and a molecular weight of 670.25 g/mol. Its IUPAC name is N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine.

Molecular Properties

• Compound Name: N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine
• PubChem CID: 91751478
• Molecular Formula: C33H67NO5Si4
• Molecular Weight: 670.25 g/mol
• Exact Mass: 669.41
• IUPAC Name: N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine
• SMILES: CON=C(CO[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3CC[C@@H]4C[C@H](O[Si](C)(C)C)CCC4C3C(O[Si](C)(C)C)C[C@@]21C
• InChI: InChI=1S/C33H67NO5Si4/c1-32-22-29(38-42(9,10)11)31-26-18-16-25(37-41(6,7)8)21-24(26)15-17-27(31)28(32)19-20-33(32,39-43(12,13)14)30(34-35-2)23-36-40(3,4)5/h24-29,31H,15-23H2,1-14H3/t24-,25-,26?,27?,28?,29?,31?,32+,33+/m1/s1
• InChIKey: HPHPNLQTTJNNGK-QLHFMXTQSA-N
• XLogP: 9.13
• TPSA: 58.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.25
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine (CID 91751478) is N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine.

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

The canonical SMILES for N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine is CON=C(CO[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3CC[C@@H]4C[C@H](O[Si](C)(C)C)CCC4C3C(O[Si](C)(C)C)C[C@@]21C.

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

The InChIKey is HPHPNLQTTJNNGK-QLHFMXTQSA-N. The full InChI is InChI=1S/C33H67NO5Si4/c1-32-22-29(38-42(9,10)11)31-26-18-16-25(37-41(6,7)8)21-24(26)15-17-27(31)28(32)19-20-33(32,39-43(12,13)14)30(34-35-2)23-36-40(3,4)5/h24-29,31H,15-23H2,1-14H3/t24-,25-,26?,27?,28?,29?,31?,32+,33+/m1/s1.

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

N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine has a molecular weight of 670.25 g/mol, XLogP of 9.13, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-1-[(3R,5R,11S,13S,17R)-13-methyl-3,11,17-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanimine is sourced from PubChem (CID 91751478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).