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
    3.8585   -0.5449   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9761    0.1389    0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140    0.3762   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6330   -0.2325    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.0739    0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715   -1.0301   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049   -0.9108   -0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4071    0.1993   -0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8321    1.1571    0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928    1.0226    0.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530   -0.7269    0.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297   -0.9624   -1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532    0.5262    1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948    0.0244   -1.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422    1.4792   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8745   -1.3179    0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8072    0.2632    1.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937   -1.8812   -0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1878   -1.6547   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4325    0.3046   -0.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3623    2.0329    0.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0837    1.8108    1.4767 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