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
    3.9052    0.3725    0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9698   -0.5419    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -0.1936    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706   -0.4925   -0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7455   -0.1443   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302    1.1359   -0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5561    1.4249   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4150    0.4879    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9430   -0.7772    0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173   -1.0637    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9307    0.0908    0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406    1.3861    0.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031   -1.5716    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405    0.8632    0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219   -0.8131    1.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232    0.0109   -1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660   -1.5971   -0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    1.8694   -1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9122    2.4246   -0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644    0.7242    0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6166   -1.5164    0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2720   -2.0793    0.4015 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