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
    3.5135   -0.2899   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -0.9778    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -0.8586    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8725    0.1204   -0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087    0.2762   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460    1.2441    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047    1.4353    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3447    0.6074   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312   -0.3684   -0.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699   -0.5529   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0397    0.3928   -1.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855   -0.3954   -0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452   -1.6373    1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406   -1.8491    0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -0.5796    1.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3421    1.1192   -0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1257   -0.2450   -1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    1.9064    1.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8962    2.2137    1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4116    0.7680    0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5086   -1.0088   -1.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.3209   -1.6629 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