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
   -4.4988    0.0786    0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2936    0.3866    1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701    0.4483    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607    0.2141   -0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.2750   -1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149    0.5797   -0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3072    0.8141    0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    0.7509    1.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7166    0.6526   -1.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549   -0.6648   -1.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680   -1.0643    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780   -1.2422    0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3550    0.3606    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -0.9950    0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5950    0.7039   -0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8604   -0.0236   -1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776    0.0871   -2.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    1.0525    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9563    0.9393    2.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    0.9446   -2.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3761    1.4471   -0.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151   -1.4383   -1.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4567   -0.4566   -1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8098   -1.2133    0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899   -1.5306    1.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7705   -1.1062    0.1347 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