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

C27H48O3Si3 — CID 552535

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

trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 552535) has the molecular formula C27H48O3Si3 and a molecular weight of 504.94 g/mol. Its IUPAC name is trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
• PubChem CID: 552535
• Molecular Formula: C27H48O3Si3
• Molecular Weight: 504.94 g/mol
• Exact Mass: 504.29
• IUPAC Name: trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
• SMILES: CC12CCC3c4ccc(O[Si](C)(C)C)cc4C(O[Si](C)(C)C)CC3C1CCC2O[Si](C)(C)C
• InChI: InChI=1S/C27H48O3Si3/c1-27-16-15-21-20-12-11-19(28-31(2,3)4)17-23(20)25(29-32(5,6)7)18-22(21)24(27)13-14-26(27)30-33(8,9)10/h11-12,17,21-22,24-26H,13-16,18H2,1-10H3
• InChIKey: FRIBZTQDVPICCL-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.94
LogP ≤ 5	8.33
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-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?

The IUPAC name of trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (CID 552535) is trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

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

The canonical SMILES for trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is CC12CCC3c4ccc(O[Si](C)(C)C)cc4C(O[Si](C)(C)C)CC3C1CCC2O[Si](C)(C)C.

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

The InChIKey is FRIBZTQDVPICCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O3Si3/c1-27-16-15-21-20-12-11-19(28-31(2,3)4)17-23(20)25(29-32(5,6)7)18-22(21)24(27)13-14-26(27)30-33(8,9)10/h11-12,17,21-22,24-26H,13-16,18H2,1-10H3.

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

trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane has a molecular weight of 504.94 g/mol, XLogP of 8.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 552535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).