Monomers

4-Phenyl-1-butene

Identifiers

IUPAC name
but-3-enylbenzene
InchI
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
InchI Key
PBGVMIDTGGTBFS-UHFFFAOYSA-N
SMILES
C=CCCc1ccccc1
Canonical SMILES
C=CCCC1=CC=CC=C1
Isomeric SMILES
C=CCCC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.8052
H Bond Acceptors
0
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4311    0.8084    0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    0.5317   -0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010   -0.8221   -0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4606   -0.8646   -1.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055   -0.3247   -0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9391    1.0048   -0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9210    1.4557    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5772    0.5886    1.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2273   -0.7545    1.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2531   -1.2057    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336    1.7848    1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    0.0410    1.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3390    1.3393   -1.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449   -1.2492   -1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7454   -1.4639    0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2181   -1.9295   -1.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4719   -0.3515   -2.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    1.6807   -1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2269    2.5016    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3484    0.9487    1.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -1.4417    1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038   -2.2780    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers