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
    3.4124    2.5328    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1819    1.3966   -0.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781    0.5592   -0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8785   -0.5528   -1.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7866   -1.3759   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1402   -1.1216    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521   -0.0123    0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1596    0.8130    0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3063   -2.0193    0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5039   -1.5750   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108   -0.1991   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051    0.7759   -0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2108    2.3867    1.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188    2.7487    0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9009    3.4479   -0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983   -0.7609   -1.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6325   -2.2457   -1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361    0.2314    1.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968    1.6815    1.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321   -3.0478    0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144   -2.0607    1.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3193   -2.3075   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3183   -1.6818   -1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087   -0.0188    0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003    1.7915   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120    0.6141   -2.0167 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