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
    3.8852   -0.2108   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9775   -0.2741    0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894    0.2456    0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5744   -0.8891    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843   -0.3155    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728   -0.2780   -0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6452    0.2564   -1.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3624    0.7650   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792    0.7293    1.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5081    0.1950    1.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -0.6021   -0.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6733    0.2331   -1.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132   -0.7241    1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322    0.9988    1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4383    0.7124   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658   -1.2461    1.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878   -1.6756   -0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.6678   -1.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1185    0.2897   -2.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3562    1.1823   -0.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106    1.1193    2.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292    0.1563    2.3406 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