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
   -4.6290    0.1720   -0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7232   -0.9137   -0.7184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254   -0.7208   -0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024    0.5439    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    0.6691    0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996   -0.3850    0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812   -1.6121    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803   -1.7993   -0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101   -0.2120    0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359    0.1476   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8653    0.3410    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    1.4856   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7075    0.5589    0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499    0.9537   -1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6359   -0.1700   -1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959    1.3795    0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3662    1.6680    0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4219   -2.4398    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803   -2.8024   -0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7326    0.5527    1.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9514   -1.2276    1.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300   -0.7155   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    1.0467   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4034   -0.4878    0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    1.6380    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487    2.3294   -0.5263 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