[(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C28H52O3Si3 — CID 91748382

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

[(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91748382) has the molecular formula C28H52O3Si3 and a molecular weight of 520.98 g/mol. Its IUPAC name is [(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• PubChem CID: 91748382
• Molecular Formula: C28H52O3Si3
• Molecular Weight: 520.98 g/mol
• Exact Mass: 520.32
• IUPAC Name: [(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
• SMILES: C[C@]12CCC3C(C[C@@H](O[Si](C)(C)C)[C@H]4CC(O[Si](C)(C)C)=CC[C@]34C)C1CC=C2O[Si](C)(C)C
• InChI: InChI=1S/C28H52O3Si3/c1-27-16-14-20(29-32(3,4)5)18-24(27)25(30-33(6,7)8)19-21-22-12-13-26(31-34(9,10)11)28(22,2)17-15-23(21)27/h13-14,21-25H,12,15-19H2,1-11H3/t21?,22?,23?,24-,25-,27-,28+/m1/s1
• InChIKey: ZNMLKZDNEJOGCO-KNQRGRNJSA-N
• XLogP: 8.55
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.98
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91748382) is [(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

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

The canonical SMILES for [(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CCC3C(C[C@@H](O[Si](C)(C)C)[C@H]4CC(O[Si](C)(C)C)=CC[C@]34C)C1CC=C2O[Si](C)(C)C.

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

The InChIKey is ZNMLKZDNEJOGCO-KNQRGRNJSA-N. The full InChI is InChI=1S/C28H52O3Si3/c1-27-16-14-20(29-32(3,4)5)18-24(27)25(30-33(6,7)8)19-21-22-12-13-26(31-34(9,10)11)28(22,2)17-15-23(21)27/h13-14,21-25H,12,15-19H2,1-11H3/t21?,22?,23?,24-,25-,27-,28+/m1/s1.

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

[(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 520.98 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S,6R,10R,13S)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91748382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).