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
   -3.7063    1.0932    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9997    0.0405    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487    0.0084    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273   -0.1697   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065   -0.1856   -0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3017   -1.3831   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406   -1.4578    0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3898   -0.3083    0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073    0.9080    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4684    0.9611   -0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2226    1.9351    0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    1.1104    0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4863   -0.7961   -0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3476   -0.8917    1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886    0.8704    1.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278   -1.1039   -1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    0.6699   -1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7357   -2.2948   -0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0617   -2.4252    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399   -0.3330    0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    1.8256    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242    1.9267   -0.5665 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