8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane

C33H40O8 — CID 25159213

IUPAC8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(OCCCOc2ccc(C(=C)C3COC4(CCCC4)OO3)cc2)cc1)C1COC2(CCCC2)OO1
InChIInChI=1S/C33H40O8/c1-24(30-22-36-32(40-38-30)16-3-4-17-32)26-8-12-28(13-9-26)34-20-7-21-35-29-14-10-27(11-15-29)25(2)31-23-37-33(41-39-31)18-5-6-19-33/h8-15,30-31H,1-7,16-23H2
InChIKeyAFWWUKGJKAHHFG-UHFFFAOYSA-N
MW564.68 g/mol
LogP6.80
Rot. Bonds10

About 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane

8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane (PubChem CID 25159213) has the molecular formula C33H40O8 and a molecular weight of 564.68 g/mol. Its IUPAC name is 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
PubChem CID25159213
Molecular FormulaC33H40O8
Molecular Weight564.68 g/mol
Exact Mass564.27
IUPAC Name8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(OCCCOc2ccc(C(=C)C3COC4(CCCC4)OO3)cc2)cc1)C1COC2(CCCC2)OO1
InChIInChI=1S/C33H40O8/c1-24(30-22-36-32(40-38-30)16-3-4-17-32)26-8-12-28(13-9-26)34-20-7-21-35-29-14-10-27(11-15-29)25(2)31-23-37-33(41-39-31)18-5-6-19-33/h8-15,30-31H,1-7,16-23H2
InChIKeyAFWWUKGJKAHHFG-UHFFFAOYSA-N
XLogP6.80
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 56.80
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'}

Analyze 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The IUPAC name of 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane (CID 25159213) is 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane is C=C(c1ccc(OCCCOc2ccc(C(=C)C3COC4(CCCC4)OO3)cc2)cc1)C1COC2(CCCC2)OO1.
What is the InChIKey of 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The InChIKey is AFWWUKGJKAHHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O8/c1-24(30-22-36-32(40-38-30)16-3-4-17-32)26-8-12-28(13-9-26)34-20-7-21-35-29-14-10-27(11-15-29)25(2)31-23-37-33(41-39-31)18-5-6-19-33/h8-15,30-31H,1-7,16-23H2.
What are the key properties of 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane?
8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane has a molecular weight of 564.68 g/mol, XLogP of 6.80, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[4-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 25159213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).