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

C35H44O8 — CID 25159215

IUPAC3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
SMILESC=C(c1ccc(OCCCOc2ccc(C(=C)C3COC4(CCCCC4)OO3)cc2)cc1)C1COC2(CCCCC2)OO1
InChIInChI=1S/C35H44O8/c1-26(32-24-38-34(42-40-32)18-5-3-6-19-34)28-10-14-30(15-11-28)36-22-9-23-37-31-16-12-29(13-17-31)27(2)33-25-39-35(43-41-33)20-7-4-8-21-35/h10-17,32-33H,1-9,18-25H2
InChIKeyQUBOVNLOOLVJRA-UHFFFAOYSA-N
MW592.73 g/mol
LogP7.58
Rot. Bonds10

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

3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane (PubChem CID 25159215) has the molecular formula C35H44O8 and a molecular weight of 592.73 g/mol. Its IUPAC name is 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
PubChem CID25159215
Molecular FormulaC35H44O8
Molecular Weight592.73 g/mol
Exact Mass592.30
IUPAC Name3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
SMILESC=C(c1ccc(OCCCOc2ccc(C(=C)C3COC4(CCCCC4)OO3)cc2)cc1)C1COC2(CCCCC2)OO1
InChIInChI=1S/C35H44O8/c1-26(32-24-38-34(42-40-32)18-5-3-6-19-34)28-10-14-30(15-11-28)36-22-9-23-37-31-16-12-29(13-17-31)27(2)33-25-39-35(43-41-33)20-7-4-8-21-35/h10-17,32-33H,1-9,18-25H2
InChIKeyQUBOVNLOOLVJRA-UHFFFAOYSA-N
XLogP7.58
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.73
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane?
The IUPAC name of 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane (CID 25159215) is 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane.
What is the SMILES notation for 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane?
The canonical SMILES for 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane is C=C(c1ccc(OCCCOc2ccc(C(=C)C3COC4(CCCCC4)OO3)cc2)cc1)C1COC2(CCCCC2)OO1.
What is the InChIKey of 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane?
The InChIKey is QUBOVNLOOLVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44O8/c1-26(32-24-38-34(42-40-32)18-5-3-6-19-34)28-10-14-30(15-11-28)36-22-9-23-37-31-16-12-29(13-17-31)27(2)33-25-39-35(43-41-33)20-7-4-8-21-35/h10-17,32-33H,1-9,18-25H2.
What are the key properties of 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane?
3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane has a molecular weight of 592.73 g/mol, XLogP of 7.58, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[3-[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane is sourced from PubChem (CID 25159215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).