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
    4.3466    0.7647   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506   -0.3592   -0.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.3507   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -1.5444    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -1.5689    0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4641   -0.3989    0.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243    0.7650    0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635    0.7923    0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323   -0.5149    1.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8994   -0.8015    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2325    0.1385   -0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8392    1.3767   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4031    0.4260   -0.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992    1.3262   -1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2598    1.4996    0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -2.4970   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816   -2.5029    0.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2389    1.7191    0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    1.7361    0.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464    0.4123    1.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8781   -1.3094    2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6917   -1.8046   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8923   -0.9854    0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8982   -0.2273   -1.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1714    1.9846   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2273    1.9239   -0.1026 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