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

C26H40O — CID 139864800

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

2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139864800) has the molecular formula C26H40O and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139864800
• Molecular Formula: C26H40O
• Molecular Weight: 368.61 g/mol
• Exact Mass: 368.31
• IUPAC Name: 2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
• SMILES: CCCCCOC1CCC2CC(c3ccc4c(c3)CCC(C)C4)CCC2C1
• InChI: InChI=1S/C26H40O/c1-3-4-5-14-27-26-13-12-24-17-23(10-11-25(24)18-26)22-9-8-20-15-19(2)6-7-21(20)16-22/h8-9,16,19,23-26H,3-7,10-15,17-18H2,1-2H3
• InChIKey: CEUJFUDECOBPMA-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 2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 139864800) is 2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.

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

The canonical SMILES for 2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is CCCCCOC1CCC2CC(c3ccc4c(c3)CCC(C)C4)CCC2C1.

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

The InChIKey is CEUJFUDECOBPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O/c1-3-4-5-14-27-26-13-12-24-17-23(10-11-25(24)18-26)22-9-8-20-15-19(2)6-7-21(20)16-22/h8-9,16,19,23-26H,3-7,10-15,17-18H2,1-2H3.

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

2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-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 2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139864800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).