9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

C26H45FO3Si2 — CID 78409523

About 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one (PubChem CID 78409523) has the molecular formula C26H45FO3Si2 and a molecular weight of 480.81 g/mol. Its IUPAC name is 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

• Compound Name: 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• PubChem CID: 78409523
• Molecular Formula: C26H45FO3Si2
• Molecular Weight: 480.81 g/mol
• Exact Mass: 480.29
• IUPAC Name: 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• SMILES: CC1(O[Si](C)(C)C)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O[Si](C)(C)C)CC21C
• InChI: InChI=1S/C26H45FO3Si2/c1-23-14-12-19(28)16-18(23)10-11-21-20-13-15-25(3,30-32(7,8)9)24(20,2)17-22(26(21,23)27)29-31(4,5)6/h16,20-22H,10-15,17H2,1-9H3
• InChIKey: GEELRUKTAPOQJZ-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.81
LogP ≤ 5	7.05
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 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one?

The IUPAC name of 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one (CID 78409523) is 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.

What is the SMILES notation for 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one?

The canonical SMILES for 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one is CC1(O[Si](C)(C)C)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O[Si](C)(C)C)CC21C.

What is the InChIKey of 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one?

The InChIKey is GEELRUKTAPOQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45FO3Si2/c1-23-14-12-19(28)16-18(23)10-11-21-20-13-15-25(3,30-32(7,8)9)24(20,2)17-22(26(21,23)27)29-31(4,5)6/h16,20-22H,10-15,17H2,1-9H3.

What are the key properties of 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one?

9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one has a molecular weight of 480.81 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 78409523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).