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
    3.8619    0.1557   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787   -0.7073   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5107   -0.2116   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017   -0.6433    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -0.1519    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1668    1.0749    0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4641    1.5350    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413    0.7451   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -0.4937   -0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6618   -0.9574   -0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6787    1.2129   -0.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545   -0.2186    0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534   -1.7682   -0.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1832   -0.7371   -1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208    0.8706   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0223   -0.1688    1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6596   -1.7329    0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562    1.6937    1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594    2.5054    0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3492    1.0417   -0.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6118   -1.1229   -1.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -1.9214   -0.7454 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