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
    3.9163   -0.5381   -0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9979    0.2967    0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6063   -0.1411    0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6804    0.6914   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7432    0.3182   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5168    0.9330    0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8341    0.6106    1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355   -0.3835    0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -1.0109   -0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3603   -0.6762   -0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6094   -1.5614   -0.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9157   -0.2390   -0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2211    1.3495    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496    0.0372    1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4551   -1.2027    0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889    0.5069   -1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871    1.7773   -0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389    1.7092    1.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224    1.1115    1.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4763   -0.6310    0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1581   -1.7891   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7628   -1.1683   -1.5363 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