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
    3.4285   -0.7084   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557    0.4018    0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6314    0.7563    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788   -0.3233   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6608   -0.1257    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716    0.5307   -0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8166    0.6657   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4067    0.1431    0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -0.5148    1.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695   -0.6342    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4762   -0.9522   -0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -1.4332   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    1.0696    0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010    0.8318    1.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585    1.7567    0.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872   -0.4753   -1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596   -1.2734    0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358    0.9338   -1.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4669    1.1864   -1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4863    0.2621    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -0.9288    2.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714   -1.1686    1.9581 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