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
    3.8873    0.3688    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339    0.9725   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6159    0.2007   -0.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    0.7937    0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930    0.1044    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6191    0.5845   -0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478   -0.0000   -1.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2819   -1.0909   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526   -1.5682    0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2390   -0.9791    0.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8578   -0.6974    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052    0.8828    0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740    2.0328   -0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7974   -0.8521   -0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    0.2669   -1.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8377    0.7106    1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915    1.8456    0.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    1.4375   -1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5091    0.3690   -1.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2317   -1.5762   -0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -2.4343    1.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -1.3714    1.7114 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