trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane

C26H48O2Si2 — CID 91752330

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

trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 91752330) has the molecular formula C26H48O2Si2 and a molecular weight of 448.84 g/mol. Its IUPAC name is trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane
• PubChem CID: 91752330
• Molecular Formula: C26H48O2Si2
• Molecular Weight: 448.84 g/mol
• Exact Mass: 448.32
• IUPAC Name: trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane
• SMILES: C[C@@H]1CC2(C)C(CCC3C4CC=C(O[Si](C)(C)C)C4(C)CCC32)C[C@@H]1O[Si](C)(C)C
• InChI: InChI=1S/C26H48O2Si2/c1-18-17-26(3)19(16-23(18)27-29(4,5)6)10-11-20-21-12-13-24(28-30(7,8)9)25(21,2)15-14-22(20)26/h13,18-23H,10-12,14-17H2,1-9H3/t18-,19?,20?,21?,22?,23+,25?,26?/m1/s1
• InChIKey: FVUKZIHAFPJDBP-GFGSRGDNSA-N
• XLogP: 7.84
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.84
LogP ≤ 5	7.84
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 trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane?

The IUPAC name of trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane (CID 91752330) is trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane.

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

The canonical SMILES for trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane is C[C@@H]1CC2(C)C(CCC3C4CC=C(O[Si](C)(C)C)C4(C)CCC32)C[C@@H]1O[Si](C)(C)C.

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

The InChIKey is FVUKZIHAFPJDBP-GFGSRGDNSA-N. The full InChI is InChI=1S/C26H48O2Si2/c1-18-17-26(3)19(16-23(18)27-29(4,5)6)10-11-20-21-12-13-24(28-30(7,8)9)25(21,2)15-14-22(20)26/h13,18-23H,10-12,14-17H2,1-9H3/t18-,19?,20?,21?,22?,23+,25?,26?/m1/s1.

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

trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane has a molecular weight of 448.84 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[(2R,3S)-2,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 91752330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).