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
    3.0272    1.5337    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879    0.8156   -0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8944   -0.6053    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836   -0.9002    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5857   -0.5757    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974   -1.4624   -0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4824   -1.0779   -1.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9990    0.2051   -0.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2794    1.1079   -0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0899    0.7129    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297    2.5884   -0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    1.0743    0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978    1.2670   -0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788   -0.9575    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8606   -1.2723   -0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7767   -0.2972    1.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648   -1.9723    1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248   -2.4641   -0.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0553   -1.7588   -1.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    0.4927   -1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7023    2.0895   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797    1.4566    1.0667 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