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
    3.6099   -0.1096   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097   -0.2279    1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4301   -0.1741    1.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859    0.0410   -0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6061    0.1010   -0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542   -1.0458   -0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7325   -1.0339   -0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4366    0.1415   -0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7029    1.2956   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3107    1.2789   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949    0.0347   -1.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6989   -0.1518   -0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4573   -0.3725    1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0988   -1.1558    1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0618    0.5868    1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431   -0.7995   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    0.9658   -0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059   -1.9825   -0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989   -1.9700   -0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5252    0.1599   -0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2631    2.2180   -0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7738    2.2002   -0.0035 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