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
    3.2167    0.9922   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855    0.5009   -0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180   -0.9313   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435   -1.0850    1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618   -0.4547    0.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243    0.8597    1.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0518    1.4603    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0564    0.7484    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8111   -0.5624   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5932   -1.1629    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114    2.0344   -0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411    0.3230   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1775    1.1899   -0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715   -1.3878    0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748   -1.4691   -0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2495   -0.6499    1.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6287   -2.1669    1.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0053    1.4115    1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    2.4893    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0198    1.1943    0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079   -1.1371   -0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3796   -2.1967   -0.0907 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