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
    3.9782    0.1735    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425   -0.6202   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -0.3507    0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6381   -0.1798   -0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459    0.0919   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3041    1.3259   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340    1.4805    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584    0.3798    0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160   -0.8777    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5939   -1.0085   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222   -0.0797   -0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8778    1.0517    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298   -1.5033   -0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815    0.4702    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232   -1.2620    1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050    0.6593   -1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6871   -1.0819   -1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893    2.1779   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0572    2.4644    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5194    0.4915    0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448   -1.7763    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2053   -2.0266   -0.2335 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