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
    2.9598    0.0127    1.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8991    0.3267    0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074   -0.0435   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7561   -0.9695   -0.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -0.3740   -0.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0996   -0.5382    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247    0.0003    0.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0115    0.7172   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4609    0.8757   -1.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2337    0.3412   -1.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151   -0.4967    1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660    0.2733    2.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567    0.8306    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394   -0.5893   -0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    0.8653   -1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7979   -1.2081   -2.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8928   -1.8725   -0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5924   -1.0958    1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7955   -0.0965    1.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9719    1.1544    0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9697    1.4335   -2.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823    0.4530   -2.5864 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