5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene

C26H34O6 — CID 86096018

IUPAC5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene
SMILESC=Cc1cc(OC)c(OCCCCCCOc2c(OC)cc(C=C)cc2OC)c(OC)c1
InChIInChI=1S/C26H34O6/c1-7-19-15-21(27-3)25(22(16-19)28-4)31-13-11-9-10-12-14-32-26-23(29-5)17-20(8-2)18-24(26)30-6/h7-8,15-18H,1-2,9-14H2,3-6H3
InChIKeyWAWUTOQRZXLMJG-UHFFFAOYSA-N
MW442.55 g/mol
LogP6.03
Rot. Bonds15

About 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene

5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene (PubChem CID 86096018) has the molecular formula C26H34O6 and a molecular weight of 442.55 g/mol. Its IUPAC name is 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene
PubChem CID86096018
Molecular FormulaC26H34O6
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene
SMILESC=Cc1cc(OC)c(OCCCCCCOc2c(OC)cc(C=C)cc2OC)c(OC)c1
InChIInChI=1S/C26H34O6/c1-7-19-15-21(27-3)25(22(16-19)28-4)31-13-11-9-10-12-14-32-26-23(29-5)17-20(8-2)18-24(26)30-6/h7-8,15-18H,1-2,9-14H2,3-6H3
InChIKeyWAWUTOQRZXLMJG-UHFFFAOYSA-N
XLogP6.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyl-1,2,3-trihexoxybenzene
CID 132596911
5-ethenyl-2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]-1,3-dimethoxybenzene
CID 11291660
5-ethenyl-1,2,3-tripropoxybenzene
CID 102253106
2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 101038496
5-ethenyl-2,3-dimethoxyaniline
CID 14166975
(5-ethenyl-2,3-dimethoxyphenyl)methanol
CID 170419069
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
2-[8-(2,6-dimethoxyphenyl)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenyl)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 101038495
5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole
CID 71995338
3-(4-decoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 85358629
3-ethenyl-1-methoxynaphthalene
CID 22386223
4-hexoxy-3,5-dimethoxyphenol
CID 10244041

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene?
The IUPAC name of 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene (CID 86096018) is 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene.
What is the SMILES notation for 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene?
The canonical SMILES for 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene is C=Cc1cc(OC)c(OCCCCCCOc2c(OC)cc(C=C)cc2OC)c(OC)c1.
What is the InChIKey of 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene?
The InChIKey is WAWUTOQRZXLMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O6/c1-7-19-15-21(27-3)25(22(16-19)28-4)31-13-11-9-10-12-14-32-26-23(29-5)17-20(8-2)18-24(26)30-6/h7-8,15-18H,1-2,9-14H2,3-6H3.
What are the key properties of 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene?
5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene has a molecular weight of 442.55 g/mol, XLogP of 6.03, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene is sourced from PubChem (CID 86096018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).