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
    3.9428    0.2873    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -0.5570    0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799   -0.3164   -0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6212   -0.2240    0.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677    0.0096    0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2805    1.2827    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6011    1.4296   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.3501   -0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9190   -0.9166   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064   -1.0578    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097    1.1745   -0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    0.0781    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344   -1.4351    0.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3261   -1.2244   -0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.5273   -1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851   -1.1892    1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033    0.5846    1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6815    2.1752    0.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356    2.4215   -0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4760    0.4802   -0.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5355   -1.7998   -0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2119   -2.0802    0.2536 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