2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene

C26H40O2 — CID 22385331

About 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene

2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 22385331) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 22385331
• Molecular Formula: C26H40O2
• Molecular Weight: 384.60 g/mol
• Exact Mass: 384.30
• IUPAC Name: 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene
• SMILES: CCCCOC1CCC2CC(C3CCc4cc(OCC)ccc4C3)CCC2C1
• InChI: InChI=1S/C26H40O2/c1-3-5-14-28-26-13-11-22-16-20(7-9-24(22)18-26)19-6-8-23-17-25(27-4-2)12-10-21(23)15-19/h10,12,17,19-20,22,24,26H,3-9,11,13-16,18H2,1-2H3
• InChIKey: RSFHDRDPNRMVGU-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.60
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene (CID 22385331) is 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene is CCCCOC1CCC2CC(C3CCc4cc(OCC)ccc4C3)CCC2C1.

What is the InChIKey of 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene?

The InChIKey is RSFHDRDPNRMVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2/c1-3-5-14-28-26-13-11-22-16-20(7-9-24(22)18-26)19-6-8-23-17-25(27-4-2)12-10-21(23)15-19/h10,12,17,19-20,22,24,26H,3-9,11,13-16,18H2,1-2H3.

What are the key properties of 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene?

2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 384.60 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 22385331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).