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
    2.2202    1.4403   -0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    0.2412    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7672   -0.9245   -0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339   -1.6119    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946   -0.6833    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5081   -0.5867   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814    0.2624   -0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770    1.0628    0.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6521    0.9621    1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805    0.1131    1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    1.6272   -1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922    2.2889    0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6806    0.0989    1.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6208   -1.6201   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297   -0.6356   -1.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -2.4158   -0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0040   -2.0920    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4397   -1.2191   -1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559    0.3087   -1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5119    1.7217    0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085    1.5864    2.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029    0.0753    2.1978 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