(1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol

C25H44O4Si — CID 134978486

About (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol

(1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol (PubChem CID 134978486) has the molecular formula C25H44O4Si and a molecular weight of 436.71 g/mol. Its IUPAC name is (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol.

Molecular Properties

• Compound Name: (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
• PubChem CID: 134978486
• Molecular Formula: C25H44O4Si
• Molecular Weight: 436.71 g/mol
• Exact Mass: 436.30
• IUPAC Name: (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
• SMILES: CO[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@H]2[C@H]3C(=CCC[C@H]3O)C=C[C@H]2C)O1
• InChI: InChI=1S/C25H44O4Si/c1-17-11-12-18-9-8-10-22(26)24(18)21(17)14-13-19-15-20(16-23(27-5)28-19)29-30(6,7)25(2,3)4/h9,11-12,17,19-24,26H,8,10,13-16H2,1-7H3/t17-,19-,20-,21-,22-,23+,24-/m1/s1
• InChIKey: CTIQCUIJSMNIKP-BTCVBLHFSA-N
• XLogP: 5.83
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.71
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?

The IUPAC name of (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol (CID 134978486) is (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol.

What is the SMILES notation for (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?

The canonical SMILES for (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol is CO[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@H]2[C@H]3C(=CCC[C@H]3O)C=C[C@H]2C)O1.

What is the InChIKey of (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?

The InChIKey is CTIQCUIJSMNIKP-BTCVBLHFSA-N. The full InChI is InChI=1S/C25H44O4Si/c1-17-11-12-18-9-8-10-22(26)24(18)21(17)14-13-19-15-20(16-23(27-5)28-19)29-30(6,7)25(2,3)4/h9,11-12,17,19-24,26H,8,10,13-16H2,1-7H3/t17-,19-,20-,21-,22-,23+,24-/m1/s1.

What are the key properties of (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?

(1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol has a molecular weight of 436.71 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,7R,8R,8aS)-8-[2-[(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol is sourced from PubChem (CID 134978486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).