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
   -3.5888   -0.2203   -0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467   -0.4956    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -0.3817    0.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7950    0.0767   -0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    0.1498   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723   -0.9459   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8283   -0.8841   -0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3315    0.3108    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623    1.4240    0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    1.3381    0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0847    0.1085   -1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6660   -0.3215   -0.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942   -0.8234    1.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926    0.3191    1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877   -1.3998    0.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528    1.0898   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -0.6077   -1.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0402   -1.8645   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -1.7544   -0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917    0.3602    0.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575    2.3532    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5418    2.1688    0.3272 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