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
   -4.4980   -0.0329    0.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3659    0.6648    1.2587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552    0.6101    0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9816   -0.1347   -0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423   -0.1704   -1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480    0.5501   -0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1531    1.2869    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808    1.3175    1.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312    0.4782   -1.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -0.6491   -0.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496   -0.5377    0.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1108   -0.4417    0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4512   -1.1134    1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4381    0.4188    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5739    0.0971   -0.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020   -0.6937   -0.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6365   -0.7673   -2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9729    1.8498    0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894    1.9180    2.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4180    0.2678   -2.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196    1.4025   -1.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4378   -0.7231   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452   -1.6008   -1.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0689   -0.5312    1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568   -0.3602    2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8956   -0.4480    0.2172 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