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
    4.7726   -0.0453    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8018   -0.3787   -0.6593 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4486   -0.3741   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6277   -0.7374   -1.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493   -0.7582   -1.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383   -0.4087   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -0.0551    0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8695   -0.0314    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8216   -0.4161   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    0.9676   -0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7802    1.0781   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986    0.0439    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2050   -0.9527    0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4478    0.6415    1.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6627    0.4359   -0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0429   -1.0179   -2.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4055   -1.0375   -2.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457    0.2223    1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    0.2526    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2995   -1.1398   -0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988   -0.5802    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450    1.6829    0.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555    1.2679   -1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2224    2.0371   -0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5749    0.1881    0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0074   -0.8848    0.3797 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