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
    3.9959    1.4447   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408    1.6946    0.5625 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505    0.8240    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7744    0.9955    1.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853    0.1197    1.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3037   -0.9186    0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7546   -1.1134   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8085   -0.2353   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -1.8328    0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.3084   -0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9824    0.0479   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479    1.0972   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4797    0.4515   -0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    1.3839   -1.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7638    2.2470   -0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889    1.8283    2.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078    0.3081    2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670   -1.9372   -1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696   -0.3679   -1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9444   -1.8527    1.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253   -2.8247    0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4108   -1.9859   -0.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -1.3456   -1.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542    0.1773    0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3868    1.0349   -1.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2062    2.0679   -0.6483 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