[(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

C23H42O4Si — CID 10386894

About [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

[(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10386894) has the molecular formula C23H42O4Si and a molecular weight of 410.67 g/mol. Its IUPAC name is [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10386894
• Molecular Formula: C23H42O4Si
• Molecular Weight: 410.67 g/mol
• Exact Mass: 410.29
• IUPAC Name: [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=CC[C@@]12C=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCC[C@H]2OCOCCOC
• InChI: InChI=1S/C23H42O4Si/c1-8-13-23-14-12-20(27-28(6,7)22(2,3)4)17-19(23)10-9-11-21(23)26-18-25-16-15-24-5/h8,12,14,19-21H,1,9-11,13,15-18H2,2-7H3/t19-,20-,21-,23-/m1/s1
• InChIKey: CJIGGEFEYMBHSM-YYTDSSBASA-N
• XLogP: 5.70
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.67
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 10386894) is [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is C=CC[C@@]12C=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCC[C@H]2OCOCCOC.

What is the InChIKey of [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is CJIGGEFEYMBHSM-YYTDSSBASA-N. The full InChI is InChI=1S/C23H42O4Si/c1-8-13-23-14-12-20(27-28(6,7)22(2,3)4)17-19(23)10-9-11-21(23)26-18-25-16-15-24-5/h8,12,14,19-21H,1,9-11,13,15-18H2,2-7H3/t19-,20-,21-,23-/m1/s1.

What are the key properties of [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?

[(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 410.67 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10386894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).