trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane

C33H58OSi — CID 635617

About trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane

trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane (PubChem CID 635617) has the molecular formula C33H58OSi and a molecular weight of 498.91 g/mol. Its IUPAC name is trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane
• PubChem CID: 635617
• Molecular Formula: C33H58OSi
• Molecular Weight: 498.91 g/mol
• Exact Mass: 498.43
• IUPAC Name: trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane
• SMILES: CC(C)CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O[Si](C)(C)C)C4(C)C)C3=CCC12C
• InChI: InChI=1S/C33H58OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h15,18,23-25,28-29H,12-14,16-17,19-22H2,1-11H3
• InChIKey: DUARJOYLLBHMOP-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.91
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?

The IUPAC name of trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane (CID 635617) is trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane.

What is the SMILES notation for trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?

The canonical SMILES for trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane is CC(C)CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O[Si](C)(C)C)C4(C)C)C3=CCC12C.

What is the InChIKey of trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?

The InChIKey is DUARJOYLLBHMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h15,18,23-25,28-29H,12-14,16-17,19-22H2,1-11H3.

What are the key properties of trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?

trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane has a molecular weight of 498.91 g/mol, XLogP of 10.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane is sourced from PubChem (CID 635617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).