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
    3.9600    1.6673    0.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    0.4152    0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035   -0.0738    0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926    0.6651    0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930    0.2248    1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119   -0.9798    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5868   -1.7265   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936   -1.2835   -0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6910   -1.4514    0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5510   -0.9514   -0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292    0.5344   -0.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303    1.2268   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381    1.8401    0.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258    1.7112    1.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663    2.4972    0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182    1.6158    1.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132    0.8116    1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3078   -2.6814   -0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114   -1.8598   -0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145   -2.5585    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0311   -1.0500    1.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630   -1.3079   -1.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5938   -1.3228   -0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5678    1.0168   -0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5670    0.7106   -0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    2.3098   -0.2540 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