1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone

C27H50O3Si2 — CID 620791

About 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone

1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone (PubChem CID 620791) has the molecular formula C27H50O3Si2 and a molecular weight of 478.87 g/mol. Its IUPAC name is 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone.

Molecular Properties

• Compound Name: 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone
• PubChem CID: 620791
• Molecular Formula: C27H50O3Si2
• Molecular Weight: 478.87 g/mol
• Exact Mass: 478.33
• IUPAC Name: 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone
• SMILES: CC12CCC(O[Si](C)(C)C)CC1CCC1C2CCC2(C)C(C(=O)CO[Si](C)(C)C)CCC12
• InChI: InChI=1S/C27H50O3Si2/c1-26-15-13-20(30-32(6,7)8)17-19(26)9-10-21-22-11-12-24(25(28)18-29-31(3,4)5)27(22,2)16-14-23(21)26/h19-24H,9-18H2,1-8H3
• InChIKey: LHAVSYHEPNCPLB-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.87
LogP ≤ 5	7.29
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 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone?

The IUPAC name of 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone (CID 620791) is 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone.

What is the SMILES notation for 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone?

The canonical SMILES for 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone is CC12CCC(O[Si](C)(C)C)CC1CCC1C2CCC2(C)C(C(=O)CO[Si](C)(C)C)CCC12.

What is the InChIKey of 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone?

The InChIKey is LHAVSYHEPNCPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50O3Si2/c1-26-15-13-20(30-32(6,7)8)17-19(26)9-10-21-22-11-12-24(25(28)18-29-31(3,4)5)27(22,2)16-14-23(21)26/h19-24H,9-18H2,1-8H3.

What are the key properties of 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone?

1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone has a molecular weight of 478.87 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-trimethylsilyloxyethanone is sourced from PubChem (CID 620791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).