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
    3.6437   -0.2836    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9514   -0.3792    0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085   -0.6294    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8105    0.5247   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604    0.3383   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4330    0.8218    0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058    0.6838    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    0.0310   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362   -0.4562   -1.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2591   -0.3088   -1.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7201   -0.0959    1.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1151   -0.3949    2.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4619   -0.2705   -0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1535   -0.7982    1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474   -1.5444   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0454    1.4725    0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    0.6144   -1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942    1.3464    1.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4090    1.0767    1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4863   -0.0709   -0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1078   -0.9670   -2.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010   -0.7107   -2.3659 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