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
    3.1910    0.8455    0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0340    0.2149    0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8277   -0.6293   -0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6858   -0.0917   -1.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892   -0.0598   -0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325   -1.1581   -0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6354   -1.1930    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9983   -0.0693    0.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1922    1.0483    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007    1.0262    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847    1.4523    1.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246    0.7754    0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    0.3105    1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5885   -1.6887   -0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281   -0.6141   -1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808   -0.7267   -2.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    0.9147   -1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -2.0640   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2962   -2.0522    0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436   -0.0686    1.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4926    1.9235    1.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3404    1.9039    0.1725 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