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
    4.6816   -0.4849   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685    0.6034    0.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083    0.3690    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6707    1.3929    0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3144    1.2039    0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1898   -0.0583    0.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5968   -1.1138    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9463   -0.8877    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378   -0.2754    0.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417   -0.0021   -0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7878   -0.2318   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6522    0.7432   -0.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7093   -0.1141   -0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6539   -1.2310    0.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2525   -0.9995   -1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0651    2.4027    0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318    2.0300    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1532   -2.0795    0.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720   -1.6967   -0.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0126    0.4183    1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640   -1.3468    1.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    1.0453   -0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9293   -0.7237   -1.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1152   -1.2084    0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2827    1.7097   -0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7044    0.5352   -0.3235 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