1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene

C30H34O6 — CID 118907614

IUPAC1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene
SMILESC/C=C/COc1cc(-c2ccc(OCOC)cc2)c(OC/C=C/C)cc1-c1ccc(OCOC)cc1
InChIInChI=1S/C30H34O6/c1-5-7-17-33-29-19-28(24-11-15-26(16-12-24)36-22-32-4)30(34-18-8-6-2)20-27(29)23-9-13-25(14-10-23)35-21-31-3/h5-16,19-20H,17-18,21-22H2,1-4H3/b7-5+,8-6+
InChIKeyJJRPXZMNHIUGJW-KQQUZDAGSA-N
MW490.60 g/mol
LogP6.90
Rot. Bonds14

About 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene

1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene (PubChem CID 118907614) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene
PubChem CID118907614
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Name1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene
SMILESC/C=C/COc1cc(-c2ccc(OCOC)cc2)c(OC/C=C/C)cc1-c1ccc(OCOC)cc1
InChIInChI=1S/C30H34O6/c1-5-7-17-33-29-19-28(24-11-15-26(16-12-24)36-22-32-4)30(34-18-8-6-2)20-27(29)23-9-13-25(14-10-23)35-21-31-3/h5-16,19-20H,17-18,21-22H2,1-4H3/b7-5+,8-6+
InChIKeyJJRPXZMNHIUGJW-KQQUZDAGSA-N
XLogP6.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene?
The IUPAC name of 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene (CID 118907614) is 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene.
What is the SMILES notation for 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene?
The canonical SMILES for 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene is C/C=C/COc1cc(-c2ccc(OCOC)cc2)c(OC/C=C/C)cc1-c1ccc(OCOC)cc1.
What is the InChIKey of 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene?
The InChIKey is JJRPXZMNHIUGJW-KQQUZDAGSA-N. The full InChI is InChI=1S/C30H34O6/c1-5-7-17-33-29-19-28(24-11-15-26(16-12-24)36-22-32-4)30(34-18-8-6-2)20-27(29)23-9-13-25(14-10-23)35-21-31-3/h5-16,19-20H,17-18,21-22H2,1-4H3/b7-5+,8-6+.
What are the key properties of 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene?
1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene has a molecular weight of 490.60 g/mol, XLogP of 6.90, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-but-2-enoxy]-2,5-bis[4-(methoxymethoxy)phenyl]benzene is sourced from PubChem (CID 118907614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).