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
   -4.7033    0.4062    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8175   -0.6550    0.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522   -0.5544    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9932    0.6339   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6551    0.7205   -0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -0.3284   -0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2626   -1.5173    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5923   -1.6083    0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373   -0.1381   -0.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3257    0.4179    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7729    0.6493    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7016    0.0535    0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3520    1.3670    0.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6817    0.1261    0.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7472    0.5962   -0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.4706   -0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096    1.6669   -1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602   -2.2999    0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9688   -2.5325    0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163   -1.0585   -1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.6395   -1.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1729   -0.3162    1.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8949    1.3838    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    1.3378   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7573    0.1912    0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4225   -0.6515    1.7117 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