(6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol

C24H41NO — CID 10546405

About (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol

(6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol (PubChem CID 10546405) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol.

Molecular Properties

• Compound Name: (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol
• PubChem CID: 10546405
• Molecular Formula: C24H41NO
• Molecular Weight: 359.60 g/mol
• Exact Mass: 359.32
• IUPAC Name: (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol
• SMILES: CC(C)=CCC/C(C)=C/CCCN1CC=C2C(C)(C)[C@H](O)CC[C@]2(C)C1
• InChI: InChI=1S/C24H41NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,14,22,26H,7-9,12-13,15-18H2,1-6H3/b20-11+/t22-,24-/m1/s1
• InChIKey: BZZVMJFCRLBIFB-MUDHTOSPSA-N
• XLogP: 5.89
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.60
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol?

The IUPAC name of (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol (CID 10546405) is (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol.

What is the SMILES notation for (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol?

The canonical SMILES for (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol is CC(C)=CCC/C(C)=C/CCCN1CC=C2C(C)(C)[C@H](O)CC[C@]2(C)C1.

What is the InChIKey of (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol?

The InChIKey is BZZVMJFCRLBIFB-MUDHTOSPSA-N. The full InChI is InChI=1S/C24H41NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,14,22,26H,7-9,12-13,15-18H2,1-6H3/b20-11+/t22-,24-/m1/s1.

What are the key properties of (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol?

(6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol has a molecular weight of 359.60 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8aS)-2-[(4E)-5,9-dimethyldeca-4,8-dienyl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 10546405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).