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
    3.2079   -0.5148    1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    0.0179    0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    0.5510   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6481   -0.1845   -1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6163   -0.0643   -0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9691   -0.9674    0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -0.8873    1.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9829    0.1574    1.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6719    1.0791    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5013    0.9794   -0.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0579   -0.5984    0.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.8965    2.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564    0.0685    1.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    0.3419   -1.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    1.6422   -0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5031    0.1208   -2.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9234   -1.2727   -1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -1.7880    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3926   -1.6129    2.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8946    0.2123    1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3916    1.8804   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131    1.7358   -1.3992 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