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
    3.8741   -0.7123    0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946   -0.0812    0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6450    0.3441    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -0.3419    0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8151   -0.0310    0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117    1.0120    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8248    1.2271    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3264    0.4444   -0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5281   -0.5979   -1.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996   -0.8246   -0.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688   -1.0065    0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.9119   -0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781    0.1455    1.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0052   -0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023    1.4475    0.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5682   -0.1270    1.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6644   -1.4352    0.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2092    1.6231    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4071    2.0769    0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2993    0.6517   -1.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8940   -1.2333   -2.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -1.6747   -1.2106 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