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
    4.0527    1.4164   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3499    0.8669    0.6009 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1170    0.2392    0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5026   -0.2726    1.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748   -0.9064    1.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -1.0537    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193   -0.5425   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504    0.0901   -0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -1.7303    0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8389   -0.7591    0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8484    0.2782   -0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7316    1.5495   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7791    2.1755   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995    1.9152   -1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045    0.6388   -1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9851   -0.1806    2.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1770   -1.2974    2.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3028   -0.6563   -1.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198    0.4872   -1.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533   -2.4548    1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8535   -2.3243   -0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8331   -0.2846    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8161   -1.3028    0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9510   -0.0497   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7366    2.3166   -0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307    1.8413    0.8091 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