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
   -4.6530   -0.2781   -0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8457    0.6131    0.0912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4800    0.4308    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9339   -0.6245   -0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681   -0.8229   -0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436    0.0502    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975    1.1008    0.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.2898    0.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018   -0.2189    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945    0.4742   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8406    0.1372   -0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3489   -0.6398   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4764   -0.1444   -1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4032   -1.3473   -0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7323   -0.1228   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192   -1.3400   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1249   -1.6612   -1.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3898    1.7464    1.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753    2.1269    1.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503   -1.2999    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1196    0.2075    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9763    0.1650   -1.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350    1.5706   -0.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    0.5599   -1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7636   -1.1082    0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082   -0.8645   -0.0072 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