(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one

C26H44O4Si — CID 12923647

About (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one

(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one (PubChem CID 12923647) has the molecular formula C26H44O4Si and a molecular weight of 448.72 g/mol. Its IUPAC name is (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one.

Molecular Properties

• Compound Name: (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
• PubChem CID: 12923647
• Molecular Formula: C26H44O4Si
• Molecular Weight: 448.72 g/mol
• Exact Mass: 448.30
• IUPAC Name: (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
• SMILES: CO[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21
• InChI: InChI=1S/C26H44O4Si/c1-17-13-19-10-9-18(2)22(25(19)23(14-17)28-6)12-11-20-15-21(16-24(27)29-20)30-31(7,8)26(3,4)5/h9-10,13,17-18,20-23,25H,11-12,14-16H2,1-8H3/t17-,18-,20+,21+,22-,23-,25-/m0/s1
• InChIKey: AAEYWIYLUOONKU-MLKWKJRISA-N
• XLogP: 6.28
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.72
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
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 (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?

The IUPAC name of (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one (CID 12923647) is (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one.

What is the SMILES notation for (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?

The canonical SMILES for (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one is CO[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21.

What is the InChIKey of (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?

The InChIKey is AAEYWIYLUOONKU-MLKWKJRISA-N. The full InChI is InChI=1S/C26H44O4Si/c1-17-13-19-10-9-18(2)22(25(19)23(14-17)28-6)12-11-20-15-21(16-24(27)29-20)30-31(7,8)26(3,4)5/h9-10,13,17-18,20-23,25H,11-12,14-16H2,1-8H3/t17-,18-,20+,21+,22-,23-,25-/m0/s1.

What are the key properties of (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one?

(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one has a molecular weight of 448.72 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-methoxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one is sourced from PubChem (CID 12923647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).