[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane

C60H110OSi2 — CID 139632792

About [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane

[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane (PubChem CID 139632792) has the molecular formula C60H110OSi2 and a molecular weight of 903.71 g/mol. Its IUPAC name is [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane
• PubChem CID: 139632792
• Molecular Formula: C60H110OSi2
• Molecular Weight: 903.71 g/mol
• Exact Mass: 902.81
• IUPAC Name: [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane
• SMILES: CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CCCC(C[Si](C)(C)O[Si](C)(C)CC5CCC[C@@H]6CC[C@@H]7[C@@H]8CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]8(C)CC[C@@H]7[C@@]56C)[C@]4(C)[C@H]3CC[C@@]21C
• InChI: InChI=1S/C60H110OSi2/c1-41(2)19-15-21-43(5)51-31-33-53-49-29-27-45-23-17-25-47(59(45,9)55(49)35-37-57(51,53)7)39-62(11,12)61-63(13,14)40-48-26-18-24-46-28-30-50-54-34-32-52(44(6)22-16-20-42(3)4)58(54,8)38-36-56(50)60(46,48)10/h41-56H,15-40H2,1-14H3/t43-,44-,45+,46+,47?,48?,49+,50+,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+/m0/s1
• InChIKey: PKODRDZNGDLEKY-YDKIICAISA-N
• XLogP: 18.89
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 16
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.71
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane?

The IUPAC name of [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane (CID 139632792) is [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane.

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

The canonical SMILES for [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane is CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CCCC(C[Si](C)(C)O[Si](C)(C)CC5CCC[C@@H]6CC[C@@H]7[C@@H]8CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]8(C)CC[C@@H]7[C@@]56C)[C@]4(C)[C@H]3CC[C@@]21C.

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

The InChIKey is PKODRDZNGDLEKY-YDKIICAISA-N. The full InChI is InChI=1S/C60H110OSi2/c1-41(2)19-15-21-43(5)51-31-33-53-49-29-27-45-23-17-25-47(59(45,9)55(49)35-37-57(51,53)7)39-62(11,12)61-63(13,14)40-48-26-18-24-46-28-30-50-54-34-32-52(44(6)22-16-20-42(3)4)58(54,8)38-36-56(50)60(46,48)10/h41-56H,15-40H2,1-14H3/t43-,44-,45+,46+,47?,48?,49+,50+,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+/m0/s1.

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

[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 903.71 g/mol, XLogP of 18.89, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-[[(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]methyl-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 139632792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).