[(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane

C22H34OSi — CID 102531514

About [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane

[(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102531514) has the molecular formula C22H34OSi and a molecular weight of 342.60 g/mol. Its IUPAC name is [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 102531514
• Molecular Formula: C22H34OSi
• Molecular Weight: 342.60 g/mol
• Exact Mass: 342.24
• IUPAC Name: [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)c3ccccc3CC[C@@H]12
• InChI: InChI=1S/C22H34OSi/c1-16-18-13-12-17-10-8-9-11-19(17)22(18,5)15-14-20(16)23-24(6,7)21(2,3)4/h8-11,18,20H,1,12-15H2,2-7H3/t18-,20+,22-/m0/s1
• InChIKey: CJUPHVPCUYVZGL-DWLFOUALSA-N
• XLogP: 6.25
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	342.60
LogP ≤ 5	6.25
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 [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane (CID 102531514) is [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane is C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)c3ccccc3CC[C@@H]12.

What is the InChIKey of [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is CJUPHVPCUYVZGL-DWLFOUALSA-N. The full InChI is InChI=1S/C22H34OSi/c1-16-18-13-12-17-10-8-9-11-19(17)22(18,5)15-14-20(16)23-24(6,7)21(2,3)4/h8-11,18,20H,1,12-15H2,2-7H3/t18-,20+,22-/m0/s1.

What are the key properties of [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane?

[(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102531514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).