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
    4.8038   -0.1991    0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7756   -0.8669    0.9024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   -0.6781    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -1.3692    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0982   -1.2169    1.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302   -0.3513    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6178    0.3558   -0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9760    0.1984   -0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7498   -0.1104   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860    0.9778    0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8036    1.1231    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3136    0.3396   -0.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108   -0.1320   -0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7801   -0.6812    0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8938    0.8644    0.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -2.0704    2.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314   -1.7701    1.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3402    1.0595   -1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6873    0.7712   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2737   -1.0701   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8165    0.1523   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722    1.9443    0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962    0.8274    1.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4514    1.8787    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3693    0.4562   -1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7497   -0.4329   -1.3104 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