10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

C22H36O2Si — CID 588408

About 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one (PubChem CID 588408) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.

Molecular Properties

• Compound Name: 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
• PubChem CID: 588408
• Molecular Formula: C22H36O2Si
• Molecular Weight: 360.61 g/mol
• Exact Mass: 360.25
• IUPAC Name: 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
• SMILES: CC12CCC3C(CCC4C=C(O[Si](C)(C)C)CCC43C)C1CCC2=O
• InChI: InChI=1S/C22H36O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h14-15,17-19H,6-13H2,1-5H3
• InChIKey: BPOOQWFLFQYKTD-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.61
LogP ≤ 5	5.94
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-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one?

The IUPAC name of 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one (CID 588408) is 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.

What is the SMILES notation for 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one?

The canonical SMILES for 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one is CC12CCC3C(CCC4C=C(O[Si](C)(C)C)CCC43C)C1CCC2=O.

What is the InChIKey of 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one?

The InChIKey is BPOOQWFLFQYKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h14-15,17-19H,6-13H2,1-5H3.

What are the key properties of 10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one?

10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one has a molecular weight of 360.61 g/mol, XLogP of 5.94, 2 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-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 588408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).