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
    3.1710    0.9353    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237    0.2965    0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017   -0.8028   -0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653   -0.4377   -1.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6037   -0.2040   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4761   -1.2419   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6748   -1.0635    0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9585    0.2150    0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1186    1.2882    0.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9326    1.0539   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0038    0.6653    0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    1.7369    1.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029    0.5653    1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121   -1.7655    0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7086   -0.8899   -0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4871   -1.2771   -1.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308    0.5079   -1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804   -2.2627   -0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3613   -1.9052    0.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8990    0.3923    1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3405    2.2923    0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688    1.9017   -0.2714 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