2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene

C25H26O3 — CID 102237631

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

2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene (PubChem CID 102237631) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene.

Molecular Properties

• Compound Name: 2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
• PubChem CID: 102237631
• Molecular Formula: C25H26O3
• Molecular Weight: 374.48 g/mol
• Exact Mass: 374.19
• IUPAC Name: 2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
• SMILES: COCC1=C(C#CC2=CCC(C#CC3=C(COC)C=CC3)=C2COC)CC=C1
• InChI: InChI=1S/C25H26O3/c1-26-16-23-8-4-6-19(23)10-12-21-14-15-22(25(21)18-28-3)13-11-20-7-5-9-24(20)17-27-2/h4-5,8-9,14H,6-7,15-18H2,1-3H3
• InChIKey: OGQHCFUTGVLWBM-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.48
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene (CID 102237631) is 2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene.

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

The canonical SMILES for 2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene is COCC1=C(C#CC2=CCC(C#CC3=C(COC)C=CC3)=C2COC)CC=C1.

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

The InChIKey is OGQHCFUTGVLWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-26-16-23-8-4-6-19(23)10-12-21-14-15-22(25(21)18-28-3)13-11-20-7-5-9-24(20)17-27-2/h4-5,8-9,14H,6-7,15-18H2,1-3H3.

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

2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene has a molecular weight of 374.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene is sourced from PubChem (CID 102237631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).