2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium

C36H54N+ — CID 58301036

About 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium

2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium (PubChem CID 58301036) has the molecular formula C36H54N+ and a molecular weight of 500.84 g/mol. Its IUPAC name is 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium.

Molecular Properties

• Compound Name: 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium
• PubChem CID: 58301036
• Molecular Formula: C36H54N+
• Molecular Weight: 500.84 g/mol
• Exact Mass: 500.43
• IUPAC Name: 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium
• SMILES: C=CCC1C(/C=C\C2CC(C=C)CC2(C)CC[NH+](C)C)CC(/C=C\C2CC(C=C)C3C=CCC23)C1C=C
• InChI: InChI=1S/C36H53N/c1-8-13-33-30(18-19-31-22-26(9-2)25-36(31,5)20-21-37(6)7)24-28(32(33)11-4)16-17-29-23-27(10-3)34-14-12-15-35(29)34/h8-12,14,16-19,26-35H,1-4,13,15,20-25H2,5-7H3/p+1/b17-16-,19-18-
• InChIKey: OKFOIISAEFOKKC-BLLVGQQCSA-O
• XLogP: 7.50
• TPSA: 4.44 Ų
• H-Bond Donors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.84
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium?

The IUPAC name of 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium (CID 58301036) is 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium.

What is the SMILES notation for 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium?

The canonical SMILES for 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium is C=CCC1C(/C=C\C2CC(C=C)CC2(C)CC[NH+](C)C)CC(/C=C\C2CC(C=C)C3C=CCC23)C1C=C.

What is the InChIKey of 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium?

The InChIKey is OKFOIISAEFOKKC-BLLVGQQCSA-O. The full InChI is InChI=1S/C36H53N/c1-8-13-33-30(18-19-31-22-26(9-2)25-36(31,5)20-21-37(6)7)24-28(32(33)11-4)16-17-29-23-27(10-3)34-14-12-15-35(29)34/h8-12,14,16-19,26-35H,1-4,13,15,20-25H2,5-7H3/p+1/b17-16-,19-18-.

What are the key properties of 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium?

2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium has a molecular weight of 500.84 g/mol, XLogP of 7.50, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-[(Z)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]-2-prop-2-enylcyclopentyl]ethenyl]-1-methylcyclopentyl]ethyl-dimethylazanium is sourced from PubChem (CID 58301036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).