1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene

C18H26O4 — CID 70460937

IUPAC1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene
SMILESC=C(C)COC(C)Oc1ccc(OC(C)OCC(=C)C)cc1
InChIInChI=1S/C18H26O4/c1-13(2)11-19-15(5)21-17-7-9-18(10-8-17)22-16(6)20-12-14(3)4/h7-10,15-16H,1,3,11-12H2,2,4-6H3
InChIKeyDUSMCMZLBSHPAC-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.32
Rot. Bonds10

About 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene

1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene (PubChem CID 70460937) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene
PubChem CID70460937
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene
SMILESC=C(C)COC(C)Oc1ccc(OC(C)OCC(=C)C)cc1
InChIInChI=1S/C18H26O4/c1-13(2)11-19-15(5)21-17-7-9-18(10-8-17)22-16(6)20-12-14(3)4/h7-10,15-16H,1,3,11-12H2,2,4-6H3
InChIKeyDUSMCMZLBSHPAC-UHFFFAOYSA-N
XLogP4.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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[1-(2-methylprop-2-enoxy)ethoxy]benzene?
The IUPAC name of 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene (CID 70460937) is 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene.
What is the SMILES notation for 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene?
The canonical SMILES for 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene is C=C(C)COC(C)Oc1ccc(OC(C)OCC(=C)C)cc1.
What is the InChIKey of 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene?
The InChIKey is DUSMCMZLBSHPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-13(2)11-19-15(5)21-17-7-9-18(10-8-17)22-16(6)20-12-14(3)4/h7-10,15-16H,1,3,11-12H2,2,4-6H3.
What are the key properties of 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene?
1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene has a molecular weight of 306.40 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene is sourced from PubChem (CID 70460937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).