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
    3.8374    0.3339   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9385   -0.0052    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527   -0.3405    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5527    0.6060    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7963    0.1637    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4442   -0.7839    1.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6971   -1.2000    0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3031   -0.6936   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    0.2486   -1.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3702    0.6885   -0.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    0.5817   -0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5524    0.3686   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2234   -0.0387    1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3190   -1.3848    0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   -0.1911   -1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    1.6351    0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055    0.5250    1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9973   -1.1988    1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2184   -1.9399    1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2935   -1.0421   -0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0457    0.6699   -2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7947    1.4264   -1.4064 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