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
    3.8262    0.7058   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010    0.0137    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791    0.3288    0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7067   -0.8435   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141   -0.4521   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1513    0.1097   -1.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4664    0.4778   -1.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.2729   -0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9363   -0.2875    0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6127   -0.6512    0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8973    0.4955    0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5084    1.5146   -0.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2001   -0.7873    1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2823    1.1894   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186    0.5567    1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485   -1.6612    0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254   -1.1911   -1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4152    0.2521   -2.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669    0.9123   -2.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3764    0.5749   -0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6545   -0.4359    1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2540   -1.0943    1.7009 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