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
    3.8079   -0.2130   -0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9569   -0.4970    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5272   -0.6673   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686    0.3905    0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    0.3073    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2972    1.0268   -0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6633    0.9470   -0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    0.1404   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8773   -0.5851    0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5096   -0.4972    1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4867   -0.0994   -1.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8815   -0.0738   -0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988   -0.6044    1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -0.5284   -1.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -1.6434    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502    1.4114    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0315    0.2108    1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6627    1.6677   -1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1049    1.5297   -1.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5454    0.0690   -0.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4923   -1.2329    1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267   -1.0585    1.9207 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