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
    4.7929    0.0423    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    0.9978   -0.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5031    0.7449   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    1.6561   -0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    1.3697   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189    0.1859    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7677   -0.7065    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0955   -0.4332    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6369   -0.0468    0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582   -0.7211   -0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7884   -0.8660   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7625   -0.3125   -0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.4333    0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921   -0.8331   -0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6073   -0.3089    1.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337    2.5872   -0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131    2.1350   -0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4139   -1.6261    1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8012   -1.2028    0.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -0.6229    1.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1288    0.9336    0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3186   -0.1096   -1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936   -1.7198   -0.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0879   -1.4269    0.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8080   -0.3978   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5012    0.2479   -1.8009 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