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
    4.6115   -1.0144    0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4533   -1.8165    0.8654 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732   -1.2747    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860    0.0918    0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.6636    0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3923   -0.1522    0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -1.5155    0.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -2.0714    0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7508    0.4463    0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516    0.5288   -0.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6118    1.1254   -0.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7892    2.2348   -1.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7888   -0.4023    1.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4378   -0.2735   -0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4990   -1.5892    0.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308    0.7575    0.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5912    1.7349    0.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0702   -2.1914    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761   -3.1536    1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4693   -0.1536    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087    1.4670    1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5196    1.0673   -1.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582   -0.5248   -1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4449    0.6547   -0.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7761    2.6691   -1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620    2.6917   -1.9113 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