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
    4.4332   -0.1845   -1.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331   -0.6357   -0.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5050   -0.3113    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240   -0.7626    1.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088   -0.4593    1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0986    0.2814    0.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739    0.7278   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7902    0.4321   -0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173    0.5992    0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3803   -0.5310    0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795   -0.1914    0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6359   -0.0283   -0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.7659   -2.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5435   -0.3023   -1.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2878    0.9139   -1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4970   -1.3533    1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1652   -0.8196    2.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775    1.3157   -1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653    0.7822   -1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    1.5682    0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7349    0.6510    1.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1906   -0.5085   -0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836   -1.4925    0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0907   -0.0797    1.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3704   -0.1308   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6675    0.2209   -0.1850 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