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
   -2.5572    1.2049   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0991    0.3810   -0.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696   -1.0112   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366   -1.3294   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -0.5198   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    0.6406   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9850    1.4979   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    1.1876    1.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0777    0.0365    1.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1595   -0.8056    1.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7001    0.8827    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8183    2.2431   -0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    0.7258   -1.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3684   -1.6654   -1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1217   -1.2746    0.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1385   -1.2459   -1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1228   -2.4068   -0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    0.9299   -1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    2.4018   -0.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330    1.8571    1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4927   -0.1923    2.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450   -1.6876    1.6410 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