4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane

C29H55NO6 — CID 145016607

About 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane

4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane (PubChem CID 145016607) has the molecular formula C29H55NO6 and a molecular weight of 513.76 g/mol. Its IUPAC name is 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane.

Molecular Properties

• Compound Name: 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane
• PubChem CID: 145016607
• Molecular Formula: C29H55NO6
• Molecular Weight: 513.76 g/mol
• Exact Mass: 513.40
• IUPAC Name: 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane
• SMILES: C=CC1CC(C=C)C2C(=O)N(CCOCCOCCOCCOC)C(=O)C12.CC.CC.CCCCC
• InChI: InChI=1S/C20H31NO6.C5H12.2C2H6/c1-4-15-14-16(5-2)18-17(15)19(22)21(20(18)23)6-7-25-10-11-27-13-12-26-9-8-24-3;1-3-5-4-2;2*1-2/h4-5,15-18H,1-2,6-14H2,3H3;3-5H2,1-2H3;2*1-2H3
• InChIKey: CCCJCFRZEYCZPS-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.76
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane?

The IUPAC name of 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane (CID 145016607) is 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane.

What is the SMILES notation for 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane?

The canonical SMILES for 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane is C=CC1CC(C=C)C2C(=O)N(CCOCCOCCOCCOC)C(=O)C12.CC.CC.CCCCC.

What is the InChIKey of 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane?

The InChIKey is CCCJCFRZEYCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO6.C5H12.2C2H6/c1-4-15-14-16(5-2)18-17(15)19(22)21(20(18)23)6-7-25-10-11-27-13-12-26-9-8-24-3;1-3-5-4-2;2*1-2/h4-5,15-18H,1-2,6-14H2,3H3;3-5H2,1-2H3;2*1-2H3.

What are the key properties of 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane?

4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane has a molecular weight of 513.76 g/mol, XLogP of 5.54, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(ethenyl)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione;ethane;pentane is sourced from PubChem (CID 145016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).