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
   -4.6429    0.5921    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8528   -0.5509    0.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767   -0.4459    0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -1.5846    0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3549   -1.4256    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2752   -0.2144    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082    0.9082    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8917    0.7803    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687   -0.1120    0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2816   -0.3166   -1.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712   -0.2088   -1.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    0.7057   -1.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3785    1.0151   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2904    1.3806    1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7134    0.4136    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778   -2.5697    0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951   -2.2887    0.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0249    1.8722    0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4794    1.6765    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351   -0.8393    1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067    0.8963    0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8126    0.4242   -1.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.3208   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3002   -0.9322   -0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.3858   -2.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4535    0.7591   -1.7627 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