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
   -4.4860   -0.6665    1.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8449    0.4280    0.5284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650    0.3749    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406   -0.7040    0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -0.6947    0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3145    0.3288    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4349    1.3946   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035    1.4293   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7984    0.2966   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1431   -0.3435   -1.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6073   -0.3876   -1.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847    0.1054   -0.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5517   -0.3346    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4244   -1.5159    0.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9911   -0.8268    2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2524   -1.5481    1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -1.5520    1.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141    2.2105   -0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3732    2.2949   -0.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575    1.3404   -0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2017   -0.2570    0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -1.3791   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352    0.2125   -2.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187   -0.8264   -2.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065    0.5507    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4580    0.0697   -0.7161 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