tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane

C25H42OSi — CID 71506213

About tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane

tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane (PubChem CID 71506213) has the molecular formula C25H42OSi and a molecular weight of 386.70 g/mol. Its IUPAC name is tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
• PubChem CID: 71506213
• Molecular Formula: C25H42OSi
• Molecular Weight: 386.70 g/mol
• Exact Mass: 386.30
• IUPAC Name: tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CCC3C4CC=C[C@@]4(C)CCC32)C1
• InChI: InChI=1S/C25H42OSi/c1-23(2,3)27(6,7)26-19-12-16-25(5)18(17-19)10-11-20-21-9-8-14-24(21,4)15-13-22(20)25/h8,10,14,19-22H,9,11-13,15-17H2,1-7H3/t19-,20?,21?,22?,24-,25-/m0/s1
• InChIKey: FNNLIMPPZPCJSV-SNMDKTABSA-N
• XLogP: 7.51
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.70
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane (CID 71506213) is tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CCC3C4CC=C[C@@]4(C)CCC32)C1.

What is the InChIKey of tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane?

The InChIKey is FNNLIMPPZPCJSV-SNMDKTABSA-N. The full InChI is InChI=1S/C25H42OSi/c1-23(2,3)27(6,7)26-19-12-16-25(5)18(17-19)10-11-20-21-9-8-14-24(21,4)15-13-22(20)25/h8,10,14,19-22H,9,11-13,15-17H2,1-7H3/t19-,20?,21?,22?,24-,25-/m0/s1.

What are the key properties of tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane?

tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane has a molecular weight of 386.70 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(3S,10R,13R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 71506213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).