trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

C29H52O3Si3 — CID 6429863

About trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 6429863) has the molecular formula C29H52O3Si3 and a molecular weight of 532.99 g/mol. Its IUPAC name is trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
• PubChem CID: 6429863
• Molecular Formula: C29H52O3Si3
• Molecular Weight: 532.99 g/mol
• Exact Mass: 532.32
• IUPAC Name: trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
• SMILES: CC12C=CC(O[Si](C)(C)C)=CC1=C(O[Si](C)(C)C)CC1C2CCC2(C)C1CC[C@@]2(C)O[Si](C)(C)C
• InChI: InChI=1S/C29H52O3Si3/c1-27-16-13-21(30-33(4,5)6)19-25(27)26(31-34(7,8)9)20-22-23(27)14-17-28(2)24(22)15-18-29(28,3)32-35(10,11)12/h13,16,19,22-24H,14-15,17-18,20H2,1-12H3/t22?,23?,24?,27?,28?,29-/m1/s1
• InChIKey: CBUDFJGEOLVXDB-DEQZDSFDSA-N
• XLogP: 8.86
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.99
LogP ≤ 5	8.86
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 trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

The IUPAC name of trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (CID 6429863) is trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

What is the SMILES notation for trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

The canonical SMILES for trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is CC12C=CC(O[Si](C)(C)C)=CC1=C(O[Si](C)(C)C)CC1C2CCC2(C)C1CC[C@@]2(C)O[Si](C)(C)C.

What is the InChIKey of trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

The InChIKey is CBUDFJGEOLVXDB-DEQZDSFDSA-N. The full InChI is InChI=1S/C29H52O3Si3/c1-27-16-13-21(30-33(4,5)6)19-25(27)26(31-34(7,8)9)20-22-23(27)14-17-28(2)24(22)15-18-29(28,3)32-35(10,11)12/h13,16,19,22-24H,14-15,17-18,20H2,1-12H3/t22?,23?,24?,27?,28?,29-/m1/s1.

What are the key properties of trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane has a molecular weight of 532.99 g/mol, XLogP of 8.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 6429863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).