triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

C37H68O5Si2 — CID 141497848

About triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (PubChem CID 141497848) has the molecular formula C37H68O5Si2 and a molecular weight of 649.12 g/mol. Its IUPAC name is triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

Molecular Properties

• Compound Name: triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• PubChem CID: 141497848
• Molecular Formula: C37H68O5Si2
• Molecular Weight: 649.12 g/mol
• Exact Mass: 648.46
• IUPAC Name: triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• SMILES: CCOCCO[C@@H]1CC[C@@]2(C)[C@H](C=C(O[Si](C)(C)C)[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O[Si](CC)(CC)CC)CC[C@@H]32)C1
• InChI: InChI=1S/C37H68O5Si2/c1-11-39-23-24-40-29-19-21-36(6)28(25-29)26-33(41-43(8,9)10)35-31-17-16-30(37(31,7)22-20-32(35)36)27(5)15-18-34(38)42-44(12-2,13-3)14-4/h26-32,35H,11-25H2,1-10H3/t27-,28+,29-,30-,31+,32+,35+,36+,37-/m1/s1
• InChIKey: KRKVTMAHLXJQSP-KRBRVSRNSA-N
• XLogP: 9.99
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.12
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

The IUPAC name of triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CID 141497848) is triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

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

The canonical SMILES for triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is CCOCCO[C@@H]1CC[C@@]2(C)[C@H](C=C(O[Si](C)(C)C)[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O[Si](CC)(CC)CC)CC[C@@H]32)C1.

What is the InChIKey of triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

The InChIKey is KRKVTMAHLXJQSP-KRBRVSRNSA-N. The full InChI is InChI=1S/C37H68O5Si2/c1-11-39-23-24-40-29-19-21-36(6)28(25-29)26-33(41-43(8,9)10)35-31-17-16-30(37(31,7)22-20-32(35)36)27(5)15-18-34(38)42-44(12-2,13-3)14-4/h26-32,35H,11-25H2,1-10H3/t27-,28+,29-,30-,31+,32+,35+,36+,37-/m1/s1.

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

triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate has a molecular weight of 649.12 g/mol, XLogP of 9.99, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for triethylsilyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-(2-ethoxyethoxy)-10,13-dimethyl-7-trimethylsilyloxy-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is sourced from PubChem (CID 141497848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).