Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.7204    0.6457    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8656   -0.3294    0.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201   -0.1864   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7617   -1.2133   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964   -1.0811   -0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312    0.0803   -0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5194    1.1225    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8938    0.9989    0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6995    0.2589   -0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3779   -0.1723    0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8410    0.0056    0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6415   -1.0463    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6556    0.2251    1.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3335   -0.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693    1.2942    1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230   -2.1634   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565   -1.9228   -1.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364    2.0768    0.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4554    1.8255    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814    1.2952   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0564   -0.4196   -1.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987   -1.2116    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146    0.5342    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2171    0.9875    0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2846   -2.0406    0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7055   -0.8970    0.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers