(3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

C24H42O2Si — CID 22295559

About (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

(3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one (PubChem CID 22295559) has the molecular formula C24H42O2Si and a molecular weight of 390.68 g/mol. Its IUPAC name is (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.

Molecular Properties

• Compound Name: (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
• PubChem CID: 22295559
• Molecular Formula: C24H42O2Si
• Molecular Weight: 390.68 g/mol
• Exact Mass: 390.30
• IUPAC Name: (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
• SMILES: CCC[Si](C)(C)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1
• InChI: InChI=1S/C24H42O2Si/c1-6-15-27(4,5)26-18-11-13-23(2)17(16-18)7-8-19-20-9-10-22(25)24(20,3)14-12-21(19)23/h17-21H,6-16H2,1-5H3/t17-,18+,19-,20-,21-,23-,24-/m0/s1
• InChIKey: NWBFGNHOLZDBBM-PRLAPGDWSA-N
• XLogP: 6.60
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.68
LogP ≤ 5	6.60
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 (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?

The IUPAC name of (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one (CID 22295559) is (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.

What is the SMILES notation for (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?

The canonical SMILES for (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one is CCC[Si](C)(C)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.

What is the InChIKey of (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?

The InChIKey is NWBFGNHOLZDBBM-PRLAPGDWSA-N. The full InChI is InChI=1S/C24H42O2Si/c1-6-15-27(4,5)26-18-11-13-23(2)17(16-18)7-8-19-20-9-10-22(25)24(20,3)14-12-21(19)23/h17-21H,6-16H2,1-5H3/t17-,18+,19-,20-,21-,23-,24-/m0/s1.

What are the key properties of (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one?

(3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one has a molecular weight of 390.68 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 22295559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).