3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane

C32H38O7 — CID 25004120

About 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane

3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane (PubChem CID 25004120) has the molecular formula C32H38O7 and a molecular weight of 534.65 g/mol. Its IUPAC name is 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
• PubChem CID: 25004120
• Molecular Formula: C32H38O7
• Molecular Weight: 534.65 g/mol
• Exact Mass: 534.26
• IUPAC Name: 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
• SMILES: C=C(c1ccc(Oc2ccc(C(=C)C3COC4(CCCCC4)OO3)cc2)cc1)C1COC2(CCCCC2)OO1
• InChI: InChI=1S/C32H38O7/c1-23(29-21-33-31(38-36-29)17-5-3-6-18-31)25-9-13-27(14-10-25)35-28-15-11-26(12-16-28)24(2)30-22-34-32(39-37-30)19-7-4-8-20-32/h9-16,29-30H,1-8,17-22H2
• InChIKey: FYFWICJSTUAUII-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.65
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane?

The IUPAC name of 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane (CID 25004120) is 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane.

What is the SMILES notation for 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane?

The canonical SMILES for 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane is C=C(c1ccc(Oc2ccc(C(=C)C3COC4(CCCCC4)OO3)cc2)cc1)C1COC2(CCCCC2)OO1.

What is the InChIKey of 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane?

The InChIKey is FYFWICJSTUAUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O7/c1-23(29-21-33-31(38-36-29)17-5-3-6-18-31)25-9-13-27(14-10-25)35-28-15-11-26(12-16-28)24(2)30-22-34-32(39-37-30)19-7-4-8-20-32/h9-16,29-30H,1-8,17-22H2.

What are the key properties of 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane?

3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane has a molecular weight of 534.65 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[4-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane is sourced from PubChem (CID 25004120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).