1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid

C24H34O4 — CID 155770756

About 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid

1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid (PubChem CID 155770756) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid
• PubChem CID: 155770756
• Molecular Formula: C24H34O4
• Molecular Weight: 386.53 g/mol
• Exact Mass: 386.25
• IUPAC Name: 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid
• SMILES: Cc1ccc(CCCCC2(C(=O)O)CC2)c(CCCCCC2(C(=O)O)CC2)c1
• InChI: InChI=1S/C24H34O4/c1-18-9-10-19(7-4-6-12-24(15-16-24)22(27)28)20(17-18)8-3-2-5-11-23(13-14-23)21(25)26/h9-10,17H,2-8,11-16H2,1H3,(H,25,26)(H,27,28)
• InChIKey: AJBYZPITMNIXBB-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 74.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid (CID 155770756) is 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid is Cc1ccc(CCCCC2(C(=O)O)CC2)c(CCCCCC2(C(=O)O)CC2)c1.

What is the InChIKey of 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid?

The InChIKey is AJBYZPITMNIXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-18-9-10-19(7-4-6-12-24(15-16-24)22(27)28)20(17-18)8-3-2-5-11-23(13-14-23)21(25)26/h9-10,17H,2-8,11-16H2,1H3,(H,25,26)(H,27,28).

What are the key properties of 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid?

1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid has a molecular weight of 386.53 g/mol, XLogP of 5.54, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[4-(1-carboxycyclopropyl)butyl]-5-methylphenyl]pentyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155770756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).