1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane

C30H60O3Si3 — CID 91749382

About 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane

1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane (PubChem CID 91749382) has the molecular formula C30H60O3Si3 and a molecular weight of 553.07 g/mol. Its IUPAC name is 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane.

Molecular Properties

• Compound Name: 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane
• PubChem CID: 91749382
• Molecular Formula: C30H60O3Si3
• Molecular Weight: 553.07 g/mol
• Exact Mass: 552.39
• IUPAC Name: 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane
• SMILES: CC(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3CCC4CC(O[Si](C)(C)C)CC[C@]4(C)C3CC[C@@]21C
• InChI: InChI=1S/C30H60O3Si3/c1-22(31-34(4,5)6)30(33-36(10,11)12)20-17-27-25-14-13-23-21-24(32-35(7,8)9)15-18-28(23,2)26(25)16-19-29(27,30)3/h22-27H,13-21H2,1-12H3/t22?,23?,24?,25?,26?,27?,28-,29-,30-/m0/s1
• InChIKey: KFUWLVZCEDFJIK-STCJSBEGSA-N
• XLogP: 9.08
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.07
LogP ≤ 5	9.08
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-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane?

The IUPAC name of 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane (CID 91749382) is 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane.

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

The canonical SMILES for 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane is CC(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CCC2C3CCC4CC(O[Si](C)(C)C)CC[C@]4(C)C3CC[C@@]21C.

What is the InChIKey of 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane?

The InChIKey is KFUWLVZCEDFJIK-STCJSBEGSA-N. The full InChI is InChI=1S/C30H60O3Si3/c1-22(31-34(4,5)6)30(33-36(10,11)12)20-17-27-25-14-13-23-21-24(32-35(7,8)9)15-18-28(23,2)26(25)16-19-29(27,30)3/h22-27H,13-21H2,1-12H3/t22?,23?,24?,25?,26?,27?,28-,29-,30-/m0/s1.

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

1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane has a molecular weight of 553.07 g/mol, XLogP of 9.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(10S,13S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane is sourced from PubChem (CID 91749382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).