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
   -4.0499    1.5259    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6045    0.3502   -0.5965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128   -0.0778   -0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8737   -1.2183   -0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823   -1.6626   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2783   -0.9857    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1687    0.1549    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713    0.6150    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -1.4281    0.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685   -0.8600   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6338    0.6298   -0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6861    1.3308   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668    1.4435    1.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1503    1.6262   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4974    2.4306   -0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5057   -1.7847   -1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747   -2.5687   -1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4982    0.6816    1.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350    1.5114    0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834   -2.5332    0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9353   -1.1481    1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5455   -1.1968   -1.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631   -1.1926   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062    1.1388   -0.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062    0.8180    0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.3998   -0.0226 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