trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

C27H48O2Si2 — CID 24893354

About trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 24893354) has the molecular formula C27H48O2Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
• PubChem CID: 24893354
• Molecular Formula: C27H48O2Si2
• Molecular Weight: 460.85 g/mol
• Exact Mass: 460.32
• IUPAC Name: trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
• SMILES: CC1C=C2C=C(O[Si](C)(C)C)CCC2(C)C2CCC3(C)C(CC[C@@]3(C)O[Si](C)(C)C)C12
• InChI: InChI=1S/C27H48O2Si2/c1-19-17-20-18-21(28-30(5,6)7)11-14-25(20,2)22-12-15-26(3)23(24(19)22)13-16-27(26,4)29-31(8,9)10/h17-19,22-24H,11-16H2,1-10H3/t19?,22?,23?,24?,25?,26?,27-/m1/s1
• InChIKey: FKNAXZNQYPTDCN-MJKJLZKOSA-N
• XLogP: 8.15
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.85
LogP ≤ 5	8.15
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-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

The IUPAC name of trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (CID 24893354) is trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

What is the SMILES notation for trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

The canonical SMILES for trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is CC1C=C2C=C(O[Si](C)(C)C)CCC2(C)C2CCC3(C)C(CC[C@@]3(C)O[Si](C)(C)C)C12.

What is the InChIKey of trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

The InChIKey is FKNAXZNQYPTDCN-MJKJLZKOSA-N. The full InChI is InChI=1S/C27H48O2Si2/c1-19-17-20-18-21(28-30(5,6)7)11-14-25(20,2)22-12-15-26(3)23(24(19)22)13-16-27(26,4)29-31(8,9)10/h17-19,22-24H,11-16H2,1-10H3/t19?,22?,23?,24?,25?,26?,27-/m1/s1.

What are the key properties of trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane has a molecular weight of 460.85 g/mol, XLogP of 8.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 24893354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).