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
    3.9403    0.1479   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9200   -0.6798   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5819   -0.3043    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -0.3654   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7810   -0.0088   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2919    1.2671   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794    1.5121    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4104    0.5116    0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889   -0.7682    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6035   -1.0221    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    1.1417    0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119   -0.0931   -0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893   -1.6653   -0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3499   -0.9930    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457    0.7258    0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622    0.3022   -1.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6145   -1.3909   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640    2.0697   -0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9507    2.5322    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4296    0.6988    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554   -1.5537    0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502   -2.0645    0.1060 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