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
    3.9026   -0.7250    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9645    0.1474   -0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5805   -0.2918   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6581    0.4100    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7595    0.0138    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -1.0811    0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6320   -1.4772    0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4272   -0.7667   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8681    0.3295   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5581    0.7251   -0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844   -1.7843    0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119   -0.4275    0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1817    1.2053   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -1.3801   -0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964   -0.0581   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9315    0.0196    1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    1.4913    0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772   -1.6272    1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0611   -2.3382    1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4398   -1.0690   -0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5049    0.8811   -1.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1418    1.5960   -1.1629 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