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

C26H40O — CID 139865826

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

6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865826) has the molecular formula C26H40O and a molecular weight of 368.61 g/mol. Its IUPAC name is 6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139865826
• Molecular Formula: C26H40O
• Molecular Weight: 368.61 g/mol
• Exact Mass: 368.31
• IUPAC Name: 6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
• SMILES: CCCCCC1CCc2cc(C3CCC4CC(OC)CCC4C3)ccc2C1
• InChI: InChI=1S/C26H40O/c1-3-4-5-6-19-7-8-21-16-22(10-9-20(21)15-19)23-11-12-25-18-26(27-2)14-13-24(25)17-23/h9-10,16,19,23-26H,3-8,11-15,17-18H2,1-2H3
• InChIKey: IXBLVCSDWVEORL-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.61
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (CID 139865826) is 6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.

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

The canonical SMILES for 6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is CCCCCC1CCc2cc(C3CCC4CC(OC)CCC4C3)ccc2C1.

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

The InChIKey is IXBLVCSDWVEORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O/c1-3-4-5-6-19-7-8-21-16-22(10-9-20(21)15-19)23-11-12-25-18-26(27-2)14-13-24(25)17-23/h9-10,16,19,23-26H,3-8,11-15,17-18H2,1-2H3.

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

6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 368.61 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).