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
    4.1886   -1.0462   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560   -0.6679   -1.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -0.1378   -0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    0.0269    0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233    0.5553    1.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224    0.9407    0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352    0.7724   -1.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439    0.2426   -1.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6394    1.4930    0.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6697    0.4349    1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0395   -0.2595   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8531   -1.5529   -0.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7651    0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5633   -0.1179    0.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0108   -1.5109   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229   -0.2780    1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5512    0.6568    2.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0234    1.0596   -1.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1076    0.1040   -2.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749    1.9705    1.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141    2.3002    0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223   -0.2972    1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6047    0.8789    1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4611    0.3432   -0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4290   -2.1182    0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282   -2.0271   -1.2011 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