1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene

C43H54 — CID 164775813

About 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene

1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene (PubChem CID 164775813) has the molecular formula C43H54 and a molecular weight of 570.90 g/mol. Its IUPAC name is 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene.

Molecular Properties

• Compound Name: 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
• PubChem CID: 164775813
• Molecular Formula: C43H54
• Molecular Weight: 570.90 g/mol
• Exact Mass: 570.42
• IUPAC Name: 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
• SMILES: C=CC1CC(/C=C\C2CC(C=C)C(/C=C/C3CC(C=C)C4C=CCC34)C2/C=C/C2CC(C=C)C3C=CCC23)C2CC=CC12
• InChI: InChI=1S/C43H54/c1-5-28-24-32(39-15-9-12-36(28)39)18-19-33-27-31(8-4)42(22-20-34-25-29(6-2)37-13-10-16-40(34)37)43(33)23-21-35-26-30(7-3)38-14-11-17-41(35)38/h5-14,18-23,28-43H,1-4,15-17,24-27H2/b19-18-,22-20+,23-21+
• InChIKey: DTQCIKMQQPOBKI-RKERTXFESA-N
• XLogP: 10.75
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.90
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	0
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 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene?

The IUPAC name of 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene (CID 164775813) is 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene.

What is the SMILES notation for 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene?

The canonical SMILES for 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene is C=CC1CC(/C=C\C2CC(C=C)C(/C=C/C3CC(C=C)C4C=CCC34)C2/C=C/C2CC(C=C)C3C=CCC23)C2CC=CC12.

What is the InChIKey of 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene?

The InChIKey is DTQCIKMQQPOBKI-RKERTXFESA-N. The full InChI is InChI=1S/C43H54/c1-5-28-24-32(39-15-9-12-36(28)39)18-19-33-27-31(8-4)42(22-20-34-25-29(6-2)37-13-10-16-40(34)37)43(33)23-21-35-26-30(7-3)38-14-11-17-41(35)38/h5-14,18-23,28-43H,1-4,15-17,24-27H2/b19-18-,22-20+,23-21+.

What are the key properties of 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene?

1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene has a molecular weight of 570.90 g/mol, XLogP of 10.75, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene is sourced from PubChem (CID 164775813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).