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
    4.6664   -0.8898   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734    0.2407   -0.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    0.2658   -0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322   -0.8600    0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770   -0.7934    0.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1880    0.3268    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    1.4395   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.3899   -0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6518    0.3257    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -0.1957   -0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8444   -0.2277   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6967    0.4609   -1.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9488   -0.9607    0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1796   -1.8316   -0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5850   -0.7912   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4998   -1.7537    0.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0859   -1.6685    1.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2120    2.3083   -0.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185    2.2780   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0113    1.3458    0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8402   -0.3124    1.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9698   -1.2064   -0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1424    0.4569   -1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2317   -0.8380    0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7485    0.4245   -0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3029    1.0661   -1.9142 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