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
   -4.7318   -0.1654    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8257    0.2574   -0.7693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.3805   -0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041    0.0982    0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5456    0.2372    0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976    0.6614   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2848    0.9387   -1.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419    0.8042   -1.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590    0.8075    0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826   -0.5482   -0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354   -0.5402   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4015   -1.3798    0.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3340   -1.0004    0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9895    0.6691    0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6265   -0.5584   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5451   -0.2325    1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1623    0.0029    1.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3309    1.2766   -2.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559    1.0300   -2.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    1.0695    1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2223    1.5561   -0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129   -1.3247    0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -0.7296   -1.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4362    0.1526   -0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4901   -1.3703    0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8656   -2.0921    1.3674 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