2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one

C24H34O2 — CID 139308924

About 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one

2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one (PubChem CID 139308924) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one.

Molecular Properties

• Compound Name: 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one
• PubChem CID: 139308924
• Molecular Formula: C24H34O2
• Molecular Weight: 354.53 g/mol
• Exact Mass: 354.26
• IUPAC Name: 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one
• SMILES: C/C=C\CC1=C(C)C(CC/C=C\CC2=C(C)C(C(C)C)CC2=O)CC1=O
• InChI: InChI=1S/C24H34O2/c1-6-7-12-20-17(4)19(14-23(20)25)11-9-8-10-13-21-18(5)22(16(2)3)15-24(21)26/h6-8,10,16,19,22H,9,11-15H2,1-5H3/b7-6-,10-8-
• InChIKey: FYJODVLLSJOMCX-INZNQPOWSA-N
• XLogP: 6.15
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.53
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one?

The IUPAC name of 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one (CID 139308924) is 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one.

What is the SMILES notation for 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one?

The canonical SMILES for 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one is C/C=C\CC1=C(C)C(CC/C=C\CC2=C(C)C(C(C)C)CC2=O)CC1=O.

What is the InChIKey of 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one?

The InChIKey is FYJODVLLSJOMCX-INZNQPOWSA-N. The full InChI is InChI=1S/C24H34O2/c1-6-7-12-20-17(4)19(14-23(20)25)11-9-8-10-13-21-18(5)22(16(2)3)15-24(21)26/h6-8,10,16,19,22H,9,11-15H2,1-5H3/b7-6-,10-8-.

What are the key properties of 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one?

2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one has a molecular weight of 354.53 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-but-2-enyl]-3-methyl-4-[(Z)-5-(2-methyl-5-oxo-3-propan-2-ylcyclopenten-1-yl)pent-3-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 139308924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).