[6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate

C32H32O6 — CID 89177624

About [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate

[6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate (PubChem CID 89177624) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate
• PubChem CID: 89177624
• Molecular Formula: C32H32O6
• Molecular Weight: 512.60 g/mol
• Exact Mass: 512.22
• IUPAC Name: [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate
• SMILES: CCC1(COc2ccc3cc(OC(=O)c4ccc5cc(OCC6(C)COC6)ccc5c4)ccc3c2)COC1
• InChI: InChI=1S/C32H32O6/c1-3-32(19-35-20-32)21-37-28-10-7-25-15-29(11-8-24(25)14-28)38-30(33)26-5-4-23-13-27(9-6-22(23)12-26)36-18-31(2)16-34-17-31/h4-15H,3,16-21H2,1-2H3
• InChIKey: WBJSPSZRYNNYET-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.60
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate?

The IUPAC name of [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate (CID 89177624) is [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate.

What is the SMILES notation for [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate?

The canonical SMILES for [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate is CCC1(COc2ccc3cc(OC(=O)c4ccc5cc(OCC6(C)COC6)ccc5c4)ccc3c2)COC1.

What is the InChIKey of [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate?

The InChIKey is WBJSPSZRYNNYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6/c1-3-32(19-35-20-32)21-37-28-10-7-25-15-29(11-8-24(25)14-28)38-30(33)26-5-4-23-13-27(9-6-22(23)12-26)36-18-31(2)16-34-17-31/h4-15H,3,16-21H2,1-2H3.

What are the key properties of [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate?

[6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate has a molecular weight of 512.60 g/mol, XLogP of 6.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl] 6-[(3-methyloxetan-3-yl)methoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 89177624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).