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
    3.0616    1.0615   -1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    0.7680   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8798   -0.5025    0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7178   -1.3387    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840   -0.6624    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314    0.0801   -0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2378    0.7451   -0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0273    0.6781    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918   -0.0616    1.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817   -0.7214    1.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0870    1.9891   -1.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350    0.4255   -1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567    1.4612   -0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488   -0.2281    1.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8020   -1.0806    0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8789   -1.5999   -1.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556   -2.2891    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4401    0.1676   -1.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5835    1.3335   -1.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9844    1.1983    0.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2236   -0.1148    2.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273   -1.3089    2.1306 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