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
    0.3138   -0.5637   -3.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3239    0.1906   -3.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -0.2481   -1.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2314    0.8109   -0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1322    0.3918    0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041   -0.3772    1.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0331   -0.7766    2.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701   -0.3884    3.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0397    0.3822    2.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9636    0.7790    1.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915   -0.2405   -4.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7538   -1.4967   -3.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7775    1.1278   -3.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645   -0.4447   -1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381   -1.1946   -1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.9438   -1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227    1.7517   -0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9531   -0.6581    0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8331   -1.3794    3.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285   -0.7007    4.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    0.7027    3.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7329    1.3879    0.9757 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