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
    3.8101    0.8141   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0004   -0.0950    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633    0.2036    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915   -0.7562   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7194   -0.4049   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -0.9635    0.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7707   -0.6392    1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4201    0.2494    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091    0.8158   -0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3820    0.4775   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828    0.6481   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925    1.7649   -0.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -1.0390    0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    1.2198    0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2854    0.0732    1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9415   -1.7802   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -0.7301   -1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9718   -1.6748    1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2832   -1.1099    1.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669    0.4864    0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    1.5067   -1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8441    0.9334   -1.8492 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