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
    3.3445   -0.5249    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730   -0.2063    0.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980    1.1782   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140    1.1635   -1.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6498    0.3531   -0.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7629   -1.0047   -0.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457   -1.7332   -0.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8811   -1.1462    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7881    0.2033    0.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    0.9264    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443   -1.5424    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0641    0.2196   -0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014   -0.9781    0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    1.7518   -0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    1.7021    0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    2.2003   -1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9429    0.8095   -2.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0451   -1.4695   -1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380   -2.7966   -0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7109   -1.7628    0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6036    0.6631    0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983    1.9939    0.2557 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