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
    3.8934    0.6944   -0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -0.2248   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -0.2105   -0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6673   -0.0730    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494   -0.0446    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -1.2153    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8008   -1.2457   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4547   -0.0558   -0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7539    1.1345   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215    1.1260   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    0.6676    0.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5764    1.4649   -1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989   -0.9914    0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4144   -1.1919   -1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843    0.6096   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999   -0.9784    1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    0.8637    1.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9647   -2.1345    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080   -2.2041   -0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986   -0.1052   -0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2740    2.0681   -0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8609    2.0463   -0.0595 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