2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane

C40H34O6 — CID 58298855

About 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane

2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane (PubChem CID 58298855) has the molecular formula C40H34O6 and a molecular weight of 610.71 g/mol. Its IUPAC name is 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

• Compound Name: 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
• PubChem CID: 58298855
• Molecular Formula: C40H34O6
• Molecular Weight: 610.71 g/mol
• Exact Mass: 610.24
• IUPAC Name: 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
• SMILES: c1cc2ccc(Oc3ccc4ccc(OCC5CC5)c(-c5ccc6ccc(OCC7CO7)cc6c5)c4c3)cc2cc1OCC1CO1
• InChI: InChI=1S/C40H34O6/c1-2-25(1)20-45-39-14-9-28-8-13-35(46-34-12-7-27-6-11-33(17-31(27)18-34)42-22-37-24-44-37)19-38(28)40(39)29-4-3-26-5-10-32(16-30(26)15-29)41-21-36-23-43-36/h3-19,25,36-37H,1-2,20-24H2
• InChIKey: XOYWOIZHSAAZJG-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 61.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.71
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane?

The IUPAC name of 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane (CID 58298855) is 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane.

What is the SMILES notation for 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane?

The canonical SMILES for 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane is c1cc2ccc(Oc3ccc4ccc(OCC5CC5)c(-c5ccc6ccc(OCC7CO7)cc6c5)c4c3)cc2cc1OCC1CO1.

What is the InChIKey of 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane?

The InChIKey is XOYWOIZHSAAZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O6/c1-2-25(1)20-45-39-14-9-28-8-13-35(46-34-12-7-27-6-11-33(17-31(27)18-34)42-22-37-24-44-37)19-38(28)40(39)29-4-3-26-5-10-32(16-30(26)15-29)41-21-36-23-43-36/h3-19,25,36-37H,1-2,20-24H2.

What are the key properties of 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane?

2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 610.71 g/mol, XLogP of 8.95, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 58298855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).