6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

C25H34O2Si — CID 59095647

About 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one (PubChem CID 59095647) has the molecular formula C25H34O2Si and a molecular weight of 394.63 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.

Molecular Properties

• Compound Name: 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
• PubChem CID: 59095647
• Molecular Formula: C25H34O2Si
• Molecular Weight: 394.63 g/mol
• Exact Mass: 394.23
• IUPAC Name: 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
• SMILES: Cc1ccc2c3c(cc(O[Si](C)(C)C(C)(C)C)c2c1)C1CCC(=O)C1(C)CC3
• InChI: InChI=1S/C25H34O2Si/c1-16-8-9-17-18-12-13-25(5)21(10-11-23(25)26)19(18)15-22(20(17)14-16)27-28(6,7)24(2,3)4/h8-9,14-15,21H,10-13H2,1-7H3
• InChIKey: ZJVROODADRGISC-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.63
LogP ≤ 5	6.93
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 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one?

The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one (CID 59095647) is 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.

What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one?

The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one is Cc1ccc2c3c(cc(O[Si](C)(C)C(C)(C)C)c2c1)C1CCC(=O)C1(C)CC3.

What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one?

The InChIKey is ZJVROODADRGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2Si/c1-16-8-9-17-18-12-13-25(5)21(10-11-23(25)26)19(18)15-22(20(17)14-16)27-28(6,7)24(2,3)4/h8-9,14-15,21H,10-13H2,1-7H3.

What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one?

6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one has a molecular weight of 394.63 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 59095647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).