1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene

C36H34O4 — CID 102237628

About 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene

1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene (PubChem CID 102237628) has the molecular formula C36H34O4 and a molecular weight of 530.66 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene.

Molecular Properties

• Compound Name: 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
• PubChem CID: 102237628
• Molecular Formula: C36H34O4
• Molecular Weight: 530.66 g/mol
• Exact Mass: 530.25
• IUPAC Name: 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
• SMILES: COCC1=C(C#CC2=CC(C#CC#CC3=C(COC)CC(C#CC4=C(COC)C=CC4)=C3)=C(COC)C2)CC=C1
• InChI: InChI=1S/C36H34O4/c1-37-23-33-13-7-11-29(33)17-15-27-19-31(35(21-27)25-39-3)9-5-6-10-32-20-28(22-36(32)26-40-4)16-18-30-12-8-14-34(30)24-38-2/h7-8,13-14,19-20H,11-12,21-26H2,1-4H3
• InChIKey: DFZGKUPPRWORQF-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.66
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene?

The IUPAC name of 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene (CID 102237628) is 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene.

What is the SMILES notation for 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene?

The canonical SMILES for 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene is COCC1=C(C#CC2=CC(C#CC#CC3=C(COC)CC(C#CC4=C(COC)C=CC4)=C3)=C(COC)C2)CC=C1.

What is the InChIKey of 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene?

The InChIKey is DFZGKUPPRWORQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O4/c1-37-23-33-13-7-11-29(33)17-15-27-19-31(35(21-27)25-39-3)9-5-6-10-32-20-28(22-36(32)26-40-4)16-18-30-12-8-14-34(30)24-38-2/h7-8,13-14,19-20H,11-12,21-26H2,1-4H3.

What are the key properties of 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene?

1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene has a molecular weight of 530.66 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene is sourced from PubChem (CID 102237628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).