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

C18H18O2 — CID 102237625

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

2-(methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene (PubChem CID 102237625) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene.

Molecular Properties

• Compound Name: 2-(methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
• PubChem CID: 102237625
• Molecular Formula: C18H18O2
• Molecular Weight: 266.34 g/mol
• Exact Mass: 266.13
• IUPAC Name: 2-(methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
• SMILES: COCC1=C(C#CC#CC2=C(COC)C=CC2)CC=C1
• InChI: InChI=1S/C18H18O2/c1-19-13-17-11-5-9-15(17)7-3-4-8-16-10-6-12-18(16)14-20-2/h5-6,11-12H,9-10,13-14H2,1-2H3
• InChIKey: NFKOPWPYGLPVIT-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.34
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene (CID 102237625) is 2-(methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene.

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

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

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

The InChIKey is NFKOPWPYGLPVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-19-13-17-11-5-9-15(17)7-3-4-8-16-10-6-12-18(16)14-20-2/h5-6,11-12H,9-10,13-14H2,1-2H3.

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

2-(methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene has a molecular weight of 266.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene is sourced from PubChem (CID 102237625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).