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
   -3.2648    0.5859    0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773    0.5391    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7455   -0.5369   -0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5716   -1.3497   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6522   -0.5656   -0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -0.0036    1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0132    0.7549    1.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480    0.9531    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7261    0.3829   -0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5928   -0.3618   -1.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4717    1.3781    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0340   -0.1559    0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3475    1.3038    0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6157   -1.2202   -0.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.0981   -1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395   -1.8525    0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3636   -2.1173   -1.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.1178    1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496    1.1837    2.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8343    1.5404    0.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4735    0.5560   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4451   -0.7986   -2.1561 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