[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane

C22H36OSi — CID 6427798

About [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane

[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane (PubChem CID 6427798) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
• PubChem CID: 6427798
• Molecular Formula: C22H36OSi
• Molecular Weight: 344.62 g/mol
• Exact Mass: 344.25
• IUPAC Name: [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
• SMILES: C[C@@]12C=CCC1C1CC=C3C[C@@H](O[Si](C)(C)C)CC[C@]3(C)C1CC2
• InChI: InChI=1S/C22H36OSi/c1-21-12-6-7-19(21)18-9-8-16-15-17(23-24(3,4)5)10-14-22(16,2)20(18)11-13-21/h6,8,12,17-20H,7,9-11,13-15H2,1-5H3/t17-,18?,19?,20?,21-,22-/m0/s1
• InChIKey: FTYHXXDHCTYORJ-FJMAIUEKSA-N
• XLogP: 6.34
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.62
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?

The IUPAC name of [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane (CID 6427798) is [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane.

What is the SMILES notation for [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?

The canonical SMILES for [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane is C[C@@]12C=CCC1C1CC=C3C[C@@H](O[Si](C)(C)C)CC[C@]3(C)C1CC2.

What is the InChIKey of [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?

The InChIKey is FTYHXXDHCTYORJ-FJMAIUEKSA-N. The full InChI is InChI=1S/C22H36OSi/c1-21-12-6-7-19(21)18-9-8-16-15-17(23-24(3,4)5)10-14-22(16,2)20(18)11-13-21/h6,8,12,17-20H,7,9-11,13-15H2,1-5H3/t17-,18?,19?,20?,21-,22-/m0/s1.

What are the key properties of [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?

[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane has a molecular weight of 344.62 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 6427798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).