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

C26H50O2Si2 — CID 6431497

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

[(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 6431497) has the molecular formula C26H50O2Si2 and a molecular weight of 450.86 g/mol. Its IUPAC name is [(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• PubChem CID: 6431497
• Molecular Formula: C26H50O2Si2
• Molecular Weight: 450.86 g/mol
• Exact Mass: 450.33
• IUPAC Name: [(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• SMILES: CC[C@]1(O[Si](C)(C)C)CCC2C3CC[C@@H]4C[C@@H](O[Si](C)(C)C)CCC4C3CC[C@@]21C
• InChI: InChI=1S/C26H50O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h19-24H,9-18H2,1-8H3/t19-,20+,21?,22?,23?,24?,25+,26+/m1/s1
• InChIKey: ASVCLJYMXYOOEI-DWBSPPHZSA-N
• XLogP: 7.86
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.86
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 6431497) is [(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

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

The canonical SMILES for [(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is CC[C@]1(O[Si](C)(C)C)CCC2C3CC[C@@H]4C[C@@H](O[Si](C)(C)C)CCC4C3CC[C@@]21C.

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

The InChIKey is ASVCLJYMXYOOEI-DWBSPPHZSA-N. The full InChI is InChI=1S/C26H50O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h19-24H,9-18H2,1-8H3/t19-,20+,21?,22?,23?,24?,25+,26+/m1/s1.

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

[(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 450.86 g/mol, XLogP of 7.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,5R,13S,17S)-17-ethyl-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 6431497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).