(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

C25H42O2Si2 — CID 14299593

About (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane (PubChem CID 14299593) has the molecular formula C25H42O2Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane.

Molecular Properties

• Compound Name: (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
• PubChem CID: 14299593
• Molecular Formula: C25H42O2Si2
• Molecular Weight: 430.78 g/mol
• Exact Mass: 430.27
• IUPAC Name: (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
• SMILES: CC12C=CC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C(O[Si](C)(C)C)CCC12
• InChI: InChI=1S/C25H42O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,13,15,17,20-23H,10-12,14,16H2,1-8H3
• InChIKey: RUDKDGLQEXQLPE-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.78
LogP ≤ 5	7.29
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 (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?

The IUPAC name of (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane (CID 14299593) is (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane.

What is the SMILES notation for (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?

The canonical SMILES for (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane is CC12C=CC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C(O[Si](C)(C)C)CCC12.

What is the InChIKey of (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?

The InChIKey is RUDKDGLQEXQLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,13,15,17,20-23H,10-12,14,16H2,1-8H3.

What are the key properties of (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?

(10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane has a molecular weight of 430.78 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane is sourced from PubChem (CID 14299593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).