trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane

C26H48O2Si2 — CID 91745450

About trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane

trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane (PubChem CID 91745450) has the molecular formula C26H48O2Si2 and a molecular weight of 448.84 g/mol. Its IUPAC name is trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane
• PubChem CID: 91745450
• Molecular Formula: C26H48O2Si2
• Molecular Weight: 448.84 g/mol
• Exact Mass: 448.32
• IUPAC Name: trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane
• SMILES: CC1CC2(C)C(C=C1O[Si](C)(C)C)CCC1C2CCC2(C)C(O[Si](C)(C)C)CCC12
• InChI: InChI=1S/C26H48O2Si2/c1-18-17-26(3)19(16-23(18)27-29(4,5)6)10-11-20-21-12-13-24(28-30(7,8)9)25(21,2)15-14-22(20)26/h16,18-22,24H,10-15,17H2,1-9H3
• InChIKey: BOPPMOJXTWNFTB-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.84
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane?

The IUPAC name of trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane (CID 91745450) is trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane.

What is the SMILES notation for trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane?

The canonical SMILES for trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane is CC1CC2(C)C(C=C1O[Si](C)(C)C)CCC1C2CCC2(C)C(O[Si](C)(C)C)CCC12.

What is the InChIKey of trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane?

The InChIKey is BOPPMOJXTWNFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O2Si2/c1-18-17-26(3)19(16-23(18)27-29(4,5)6)10-11-20-21-12-13-24(28-30(7,8)9)25(21,2)15-14-22(20)26/h16,18-22,24H,10-15,17H2,1-9H3.

What are the key properties of trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane?

trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane has a molecular weight of 448.84 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane is sourced from PubChem (CID 91745450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).